Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.

1 – 15 of 533 results

Kaempferol, 98+%, Thermo Scientific Chemicals

CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

Pricing and Availability
Specifications

PubChem CID	5280863
CAS	520-18-3
Molecular Weight (g/mol)	286.24
ChEBI	CHEBI:28499
MDL Number	MFCD00016938
SMILES	OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym	kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol
InChI Key	IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula	C15H10O6

Boiling Point	530°C (760 mmHg)
Molecular Weight (g/mol)	256.26
Color	Beige to White
Physical Form	Crystals or Powder
Chemical Name or Material	Liquiritigenin
CAS	578-86-9
Infrared Spectrum	Conforms
MDL Number	00287289
Packaging	Glass bottle
Health Hazard 1	Exclamation mark
Alpha Vector	LIQUIRITIGENIN
Synonym	4 ',7-Dihydroxyflavanone
Recommended Storage	Refrigerator +4°C
Shelf Life	3 years
Molecular Formula	C15 H12 O4

(+/-)-Equol, Thermo Scientific Chemicals

CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2

Pricing and Availability
Specifications

PubChem CID	382975
CAS	94105-90-5
Molecular Weight (g/mol)	242.27
MDL Number	MFCD00016662
SMILES	OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
Synonym	3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol
IUPAC Name	3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
InChI Key	ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula	C15H14O3

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

Pricing and Availability
Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

Rifabutin, 98%, Thermo Scientific Chemicals

CAS: 72559-06-9 Molecular Formula: C46H62N4O11 Molecular Weight (g/mol): 847.02 MDL Number: MFCD00866816 InChI Key: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonym: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 PubChem CID: 57448257 IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O

Pricing and Availability
Specifications

PubChem CID	57448257
CAS	72559-06-9
Molecular Weight (g/mol)	847.02
MDL Number	MFCD00866816
SMILES	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
Synonym	rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427
IUPAC Name	(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate
InChI Key	ATEBXHFBFRCZMA-VXTBVIBXSA-N
Molecular Formula	C46H62N4O11

Genistin, 99+%, Thermo Scientific Chemicals

CAS: 529-59-9 Molecular Formula: C21H20O10 Molecular Weight (g/mol): 432.381 MDL Number: MFCD00016883 InChI Key: ZCOLJUOHXJRHDI-CMWLGVBASA-N Synonym: genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside PubChem CID: 5281377 ChEBI: CHEBI:27514 IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Pricing and Availability
Specifications

PubChem CID	5281377
CAS	529-59-9
Molecular Weight (g/mol)	432.381
ChEBI	CHEBI:27514
MDL Number	MFCD00016883
SMILES	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Synonym	genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside
IUPAC Name	5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key	ZCOLJUOHXJRHDI-CMWLGVBASA-N
Molecular Formula	C21H20O10

(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C₁₃H₁₈O₂ Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Pricing and Availability
Specifications

PubChem CID	39912
CAS	51146-56-6
Molecular Weight (g/mol)	206.28
ChEBI	CHEBI:43415
MDL Number	MFCD00069289
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym	s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula	C₁₃H₁₈O₂

Chrysophenine sodium salt, Thermo Scientific Chemicals

CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O

Pricing and Availability
Specifications

PubChem CID	54603156
CAS	2870-32-8
Molecular Weight (g/mol)	680.66
MDL Number	MFCD00007488
SMILES	[Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
Synonym	chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp
IUPAC Name	sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI Key	YQMJDPHTMKUEHG-RPKDOIGLSA-L
Molecular Formula	C30H26N4Na2O8S2

1,3-Dibenzoyloxybenzene, 98%, Thermo Scientific Chemicals

CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: (3-benzoyloxyphenyl) benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	66742
CAS	94-01-9
Molecular Weight (g/mol)	318.33
MDL Number	MFCD00016576
SMILES	O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
Synonym	1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate
IUPAC Name	(3-benzoyloxyphenyl) benzoate
InChI Key	SUQGLJRNDJRARS-UHFFFAOYSA-N
Molecular Formula	C20H14O4

α-Bromocinnamaldehyde, 98%, Thermo Scientific™

CAS: 5443-49-2 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br

Pricing and Availability
Specifications

PubChem CID	5369403
CAS	5443-49-2
SMILES	C1=CC=C(C=C1)C=C(C=O)Br
Synonym	alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo
IUPAC Name	(Z)-2-bromo-3-phenylprop-2-enal
InChI Key	WQRWNOKNRHCLHV-TWGQIWQCSA-N

Tyrphostin B46, 98+%, Thermo Scientific Chemicals

CAS: 133550-34-2 Molecular Formula: C19H18N2O3 Molecular Weight (g/mol): 322.364 MDL Number: MFCD00209865 InChI Key: GSQOBTOAOGXIFL-WJDWOHSUSA-N Synonym: tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 5353390 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Pricing and Availability
Specifications

PubChem CID	5353390
CAS	133550-34-2
Molecular Weight (g/mol)	322.364
MDL Number	MFCD00209865
SMILES	C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym	tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide
IUPAC Name	(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
InChI Key	GSQOBTOAOGXIFL-WJDWOHSUSA-N
Molecular Formula	C19H18N2O3

3,4-Dichlorocinnamic acid, 97%, Thermo Scientific™

CAS: 1202-39-7 Molecular Formula: C₉H₆Cl₂O₂ Molecular Weight (g/mol): 217.05 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl

Pricing and Availability
Specifications

PubChem CID	688027
CAS	1202-39-7
Molecular Weight (g/mol)	217.05
SMILES	C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Synonym	3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid
IUPAC Name	(E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
InChI Key	RRLUFPHCTSFKNR-DUXPYHPUSA-N
Molecular Formula	C₉H₆Cl₂O₂

Pentafluorophenyl 4-morpholinobenzoate, 97%, Thermo Scientific™

CAS: 921938-51-4 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09817462 InChI Key: UJYQDNSLPIRXRT-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229462 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F

Pricing and Availability
Specifications

PubChem CID	24229462
CAS	921938-51-4
Molecular Weight (g/mol)	373.28
MDL Number	MFCD09817462
SMILES	FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F
Synonym	pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate
InChI Key	UJYQDNSLPIRXRT-UHFFFAOYSA-N
Molecular Formula	C17H12F5NO3

1,4-Benzenediacrylic acid, 98%, Thermo Scientific Chemicals

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

Pricing and Availability
Specifications

PubChem CID	759280
CAS	16323-43-6
Molecular Weight (g/mol)	218.208
MDL Number	MFCD00002698
SMILES	C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O
Synonym	1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid
IUPAC Name	(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI Key	AAFXQFIGKBLKMC-KQQUZDAGSA-N
Molecular Formula	C12H10O4

2-Fluorocinnamic acid, 98%, Thermo Scientific™

CAS: 451-69-4 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004370 InChI Key: IOUDZAFBPDDAMK-AATRIKPKSA-N Synonym: 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid PubChem CID: 735833 IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1F

Pricing and Availability
Specifications

PubChem CID	735833
CAS	451-69-4
Molecular Weight (g/mol)	166.15
MDL Number	MFCD00004370
SMILES	OC(=O)\C=C\C1=CC=CC=C1F
Synonym	2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid
IUPAC Name	(E)-3-(2-fluorophenyl)prop-2-enoic acid
InChI Key	IOUDZAFBPDDAMK-AATRIKPKSA-N
Molecular Formula	C9H7FO2

Phenylpropanoids and polyketides

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