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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Dicarbonyl Compounds (5)
Complex Aldehydes (13)
Complex Ketones (41)

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1 – 15 of 28 results
1

(S)-(-)-Celiprolol Hydrochloride, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

CAS 57470-78-7
Molecular Weight (g/mol) 415.95
InChI Formula InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
Chemical Name or Material Celiprolol Hydrochloride
SMILES Cl.CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C
Synonym Celiprolol Hydrochloride,Celectol,Corliprol,NSC 324509,REV 5320A,ST 1396,Selecor,Urea, N'-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, monohydrochloride (9CI)
Recommended Storage -20°C
IUPAC Name 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
Molecular Formula C20 H33 N3 O4 . Cl H
Formula Weight 415.2238
2

(R,S)-1-Methyl-3-nicotinoylpyrrolidine, TRC

CAS: 125630-26-4 Molecular Formula: C11 H14 N2 O Molecular Weight (g/mol): 190.2417 Synonym: Methanone, (1-methyl-3-pyrrolidinyl)-3-pyridinyl-,(RS)-1-Methyl-3-nicotinoylpyrrolidine ((RS)-MNP) IUPAC Name: (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone SMILES: CN1CCC(C1)C(=O)c2cccnc2

CAS 125630-26-4
Molecular Weight (g/mol) 190.2417
SMILES CN1CCC(C1)C(=O)c2cccnc2
Synonym Methanone, (1-methyl-3-pyrrolidinyl)-3-pyridinyl-,(RS)-1-Methyl-3-nicotinoylpyrrolidine ((RS)-MNP)
IUPAC Name (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone
Molecular Formula C11 H14 N2 O
3

(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole, TRC

CAS: 94944-70-4 Molecular Formula: C9H14N2O5 Molecular Weight (g/mol): 230.22 Synonym: 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]-ethanone,[1R-(1R*,2S*,3R*)]-1-[4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl]-ethanone IUPAC Name: 1-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone SMILES: CC(C1=NC([C@H]([C@@H]([C@@H](CO)O)O)O)=CN1)=O

CAS 94944-70-4
Molecular Weight (g/mol) 230.22
SMILES CC(C1=NC([C@H]([C@@H]([C@@H](CO)O)O)O)=CN1)=O
Synonym 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]-ethanone,[1R-(1R*,2S*,3R*)]-1-[4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl]-ethanone
IUPAC Name 1-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
Molecular Formula C9H14N2O5
4

L-Kynurenine

EDGE
5

9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

PubChem CID 23661981
CAS 153277-35-1
Molecular Weight (g/mol) 310.255
MDL Number MFCD00149068
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
Synonym sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate
IUPAC Name sodium;9,10-dioxoanthracene-2-sulfonate
InChI Key GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula C14H7NaO5S
6

D-(+)-Maltose Monohydrate, ≥92% (Dry Basis), Ultrapure

CAS: 6363-53-7 Molecular Formula: C12H22O11·H2O Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H22O11·H2O
7

Dibenzyl malonate, 95%

CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonym: dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2

PubChem CID 84754
CAS 15014-25-2
Molecular Weight (g/mol) 284.311
MDL Number MFCD00004779
SMILES C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
Synonym dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form
IUPAC Name dibenzyl propanedioate
InChI Key RYFCSKVXWRJEOB-UHFFFAOYSA-N
Molecular Formula C17H16O4
8

2-Formylbenzenesulfonic acid, sodium salt, 90%, tech.

CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium;2-formylbenzenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O

PubChem CID 3794540
CAS 1008-72-6
Molecular Weight (g/mol) 208.16
MDL Number MFCD00007478
SMILES [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
Synonym sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate
IUPAC Name sodium;2-formylbenzenesulfonate
InChI Key ADPUQRRLAAPXGT-UHFFFAOYSA-M
Molecular Formula C7H5NaO4S
9

Vanillin, 99%, pure

CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

PubChem CID 1183
CAS 121-33-5
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:18346
MDL Number MFCD00006942,MFCD08702848
SMILES COC1=CC(C=O)=CC=C1O
Synonym vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde
IUPAC Name 4-hydroxy-3-methoxybenzaldehyde
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
10

3,5-Difluoro-4-hydroxybenzaldehyde, 97%

CAS: 118276-06-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD06797917 InChI Key: SKOYTQILPMNZQO-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester PubChem CID: 10192584 IUPAC Name: 3,5-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)O)F)C=O

PubChem CID 10192584
CAS 118276-06-5
Molecular Weight (g/mol) 158.104
MDL Number MFCD06797917
SMILES C1=C(C=C(C(=C1F)O)F)C=O
Synonym 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester
IUPAC Name 3,5-difluoro-4-hydroxybenzaldehyde
InChI Key SKOYTQILPMNZQO-UHFFFAOYSA-N
Molecular Formula C7H4F2O2
11

3-Acetylquinoline, 97%

CAS: 33021-53-3 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.20 MDL Number: MFCD00030698 InChI Key: VMZYRGLKJCRGST-UHFFFAOYSA-N Synonym: 3-acetylquinoline,1-quinolin-3-yl ethanone,ethanone, 1-3-quinolinyl,1-3-quinolinyl ethanone,3-quinolylethanone,3-acetyl-chinolin,methyl quinolinyl ketone,1-quinolin-3-yl-ethanone,1-quinolin-3-yl ethan-1-one,s-1-4-cyanophenyl ethanamine hydrochloride form PubChem CID: 5325612 IUPAC Name: 1-quinolin-3-ylethanone SMILES: CC(=O)C1=CN=C2C=CC=CC2=C1

PubChem CID 5325612
CAS 33021-53-3
Molecular Weight (g/mol) 171.20
MDL Number MFCD00030698
SMILES CC(=O)C1=CN=C2C=CC=CC2=C1
Synonym 3-acetylquinoline,1-quinolin-3-yl ethanone,ethanone, 1-3-quinolinyl,1-3-quinolinyl ethanone,3-quinolylethanone,3-acetyl-chinolin,methyl quinolinyl ketone,1-quinolin-3-yl-ethanone,1-quinolin-3-yl ethan-1-one,s-1-4-cyanophenyl ethanamine hydrochloride form
IUPAC Name 1-quinolin-3-ylethanone
InChI Key VMZYRGLKJCRGST-UHFFFAOYSA-N
Molecular Formula C11H9NO
12

4-Acetylbenzenesulfonyl chloride, 97%

CAS: 1788-10-9 Molecular Formula: C8H7ClO3S Molecular Weight (g/mol): 218.65 MDL Number: MFCD00800269 InChI Key: FXVDNCRTKXMSEZ-UHFFFAOYSA-N Synonym: 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride PubChem CID: 266418 IUPAC Name: 4-acetylbenzenesulfonyl chloride SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl

PubChem CID 266418
CAS 1788-10-9
Molecular Weight (g/mol) 218.65
MDL Number MFCD00800269
SMILES CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
Synonym 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride
IUPAC Name 4-acetylbenzenesulfonyl chloride
InChI Key FXVDNCRTKXMSEZ-UHFFFAOYSA-N
Molecular Formula C8H7ClO3S
13

1,3-Dichloroacetone, 96%

CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl

PubChem CID 10793
CAS 534-07-6
Molecular Weight (g/mol) 126.96
MDL Number MFCD00000937
SMILES ClCC(=O)CCl
Synonym 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone
IUPAC Name 1,3-dichloropropan-2-one
InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O
14

1,3-Dichloroacetone, typically 99%, Thermo Scientific Chemicals

CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl

PubChem CID 10793
CAS 534-07-6
Molecular Weight (g/mol) 126.96
MDL Number MFCD00000937
SMILES ClCC(=O)CCl
Synonym 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone
IUPAC Name 1,3-dichloropropan-2-one
InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O
15

3-(Methylthio)propionaldehyde, 97%

CAS: 3268-49-3 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.167 MDL Number: MFCD00007022 InChI Key: CLUWOWRTHNNBBU-UHFFFAOYSA-N Synonym: methional,3-methylthio propionaldehyde,3-methylthio propanal,propanal, 3-methylthio,4-thiapentanal,3-methylsulfanyl propanal,3-methylmercapto propionaldehyde,3-methylthiopropanal,propionaldehyde, 3-methylthio,3-methylmercaptopropyl aldehyde PubChem CID: 18635 ChEBI: CHEBI:49017 IUPAC Name: 3-methylsulfanylpropanal SMILES: CSCCC=O

PubChem CID 18635
CAS 3268-49-3
Molecular Weight (g/mol) 104.167
ChEBI CHEBI:49017
MDL Number MFCD00007022
SMILES CSCCC=O
Synonym methional,3-methylthio propionaldehyde,3-methylthio propanal,propanal, 3-methylthio,4-thiapentanal,3-methylsulfanyl propanal,3-methylmercapto propionaldehyde,3-methylthiopropanal,propionaldehyde, 3-methylthio,3-methylmercaptopropyl aldehyde
IUPAC Name 3-methylsulfanylpropanal
InChI Key CLUWOWRTHNNBBU-UHFFFAOYSA-N
Molecular Formula C4H8OS