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1 – 15 of 499 results

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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Dicarbonyl Compounds

PubChem CID	7761
CAS	105-53-3
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00009195
SMILES	CCOC(=O)CC(=O)OCC
Synonym	diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name	diethyl propanedioate
InChI Key	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula	C7H12O4

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Guanosine 5'-monophosphate, disodium salt hydrate, 97%

CAS: 5550-12-9 Molecular Formula: C10H12N5Na2O8P Molecular Weight (g/mol): 407.19 MDL Number: MFCD00151238 InChI Key: PVBRXXAAPNGWGE-KHRSEZDTNA-L PubChem CID: 21712 IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate SMILES: [Na+].[Na+].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1

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Specifications

Monosaccharides

PubChem CID	21712
CAS	5550-12-9
Molecular Weight (g/mol)	407.19
MDL Number	MFCD00151238
SMILES	[Na+].[Na+].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1
IUPAC Name	disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI Key	PVBRXXAAPNGWGE-KHRSEZDTNA-L
Molecular Formula	C10H12N5Na2O8P

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L(+)-Ascorbic acid, ACS reagent

CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

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Specifications

Enediols

PubChem CID	54670067
CAS	50-81-7
Molecular Weight (g/mol)	176.12
ChEBI	CHEBI:29073
MDL Number	MFCD00064328
SMILES	OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym	l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key	CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula	C6H8O6

D-Galacturonic acid monohydrate, 97%

CAS: 91510-62-2 Molecular Formula: C6H9O7 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00071585 InChI Key: AEMOLEFTQBMNLQ-DTEWXJGMSA-M Synonym: d-+-galacturonic acid monohydrate PubChem CID: 91872458 IUPAC Name: (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate SMILES: *

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Specifications

Sugar acids and derivatives

PubChem CID	91872458
CAS	91510-62-2
Molecular Weight (g/mol)	0.00
MDL Number	MFCD00071585
SMILES	*
Synonym	d-+-galacturonic acid monohydrate
IUPAC Name	(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate
InChI Key	AEMOLEFTQBMNLQ-DTEWXJGMSA-M
Molecular Formula	C6H9O7

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Enediols

PubChem CID	54670067
CAS	50-81-7
Molecular Weight (g/mol)	176.12
ChEBI	CHEBI:29073
MDL Number	MFCD00064328
SMILES	OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym	l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key	CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula	C6H8O6

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2-Mercaptoethanol, 99%, pure

CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 SMILES: OCCS

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Specifications

Alcohols and polyols

PubChem CID	1567
CAS	60-24-2
Molecular Weight (g/mol)	78.13
ChEBI	CHEBI:41218
MDL Number	MFCD00004890
SMILES	OCCS
Synonym	2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan
InChI Key	DGVVWUTYPXICAM-UHFFFAOYSA-N
Molecular Formula	C2H6OS

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3-Methyl-1-butanol, ACS reagent

CAS: 123-51-3 Molecular Formula: C₅H₁₂O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO

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Specifications

Alcohols and polyols

PubChem CID	31260
CAS	123-51-3
Molecular Weight (g/mol)	88.15
ChEBI	CHEBI:15837
MDL Number	MFCD00002934
SMILES	CC(C)CCO
Synonym	3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol
IUPAC Name	3-methylbutan-1-ol
InChI Key	PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Formula	C₅H₁₂O

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

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Specifications

Complex Aldehydes

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

2-n-Butoxyethanol, 99%

CAS: 111-76-2 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00002884 InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N Synonym: butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb PubChem CID: 8133 ChEBI: CHEBI:63921 IUPAC Name: 2-butoxyethanol SMILES: CCCCOCCO

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Specifications

Enediols

PubChem CID	8133
CAS	111-76-2
Molecular Weight (g/mol)	118.18
ChEBI	CHEBI:63921
MDL Number	MFCD00002884
SMILES	CCCCOCCO
Synonym	butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb
IUPAC Name	2-butoxyethanol
InChI Key	POAOYUHQDCAZBD-UHFFFAOYSA-N
Molecular Formula	C6H14O2

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Di-tert-butyl dicarbonate, 97%

CAS: 24424-99-5 Molecular Formula: C₁₀H₁₈O₅ Molecular Weight (g/mol): 218.25 MDL Number: MFCD00008805 InChI Key: DYHSDKLCOJIUFX-UHFFFAOYSA-N Synonym: di-tert-butyl dicarbonate,boc anhydride,boc-anhydride,di-t-butyl dicarbonate,di-tert-butyl pyrocarbonate,bis tert-butoxycarbonyl oxide,di-tert-butyldicarbonate,boc2o,di-t-butyl pyrocarbonate,di tert-butyl carbonate PubChem CID: 90495 ChEBI: CHEBI:48500 IUPAC Name: tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

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Specifications

Organic oxides

PubChem CID	90495
CAS	24424-99-5
Molecular Weight (g/mol)	218.25
ChEBI	CHEBI:48500
MDL Number	MFCD00008805
SMILES	CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
Synonym	di-tert-butyl dicarbonate,boc anhydride,boc-anhydride,di-t-butyl dicarbonate,di-tert-butyl pyrocarbonate,bis tert-butoxycarbonyl oxide,di-tert-butyldicarbonate,boc2o,di-t-butyl pyrocarbonate,di tert-butyl carbonate
IUPAC Name	tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
InChI Key	DYHSDKLCOJIUFX-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈O₅

n-Butyric Anhydride, 98%

CAS: 106-31-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009389 InChI Key: YHASWHZGWUONAO-UHFFFAOYSA-N Synonym: butyric anhydride,n-butyric anhydride,butanoic anhydride,butanoic acid, anhydride,butyryl oxide,butyric acid anhydride,n-butyric acid anhydride,butyranhydrid,butanoic acid anhydride,butyric anhydride n PubChem CID: 7798 IUPAC Name: butanoyl butanoate SMILES: CCCC(=O)OC(=O)CCC

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Specifications

Organic oxides

PubChem CID	7798
CAS	106-31-0
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00009389
SMILES	CCCC(=O)OC(=O)CCC
Synonym	butyric anhydride,n-butyric anhydride,butanoic anhydride,butanoic acid, anhydride,butyryl oxide,butyric acid anhydride,n-butyric acid anhydride,butyranhydrid,butanoic acid anhydride,butyric anhydride n
IUPAC Name	butanoyl butanoate
InChI Key	YHASWHZGWUONAO-UHFFFAOYSA-N
Molecular Formula	C8H14O3

2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, 98%

CAS: 77-99-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00004694 InChI Key: ZJCCRDAZUWHFQH-UHFFFAOYSA-N Synonym: trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane PubChem CID: 6510 IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol SMILES: CCC(CO)(CO)CO

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Specifications

Alcohols and polyols

PubChem CID	6510
CAS	77-99-6
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00004694
SMILES	CCC(CO)(CO)CO
Synonym	trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane
IUPAC Name	2-ethyl-2-(hydroxymethyl)propane-1,3-diol
InChI Key	ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Molecular Formula	C6H14O3

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Pentaerythritol, 98%

CAS: 115-77-5 Molecular Formula: C₅H₁₂O₄ Molecular Weight (g/mol): 136.15 InChI Key: WXZMFSXDPGVJKK-UHFFFAOYSA-N Synonym: pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek PubChem CID: 8285 IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CO)O

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Specifications

Alcohols and polyols

PubChem CID	8285
CAS	115-77-5
Molecular Weight (g/mol)	136.15
SMILES	C(C(CO)(CO)CO)O
Synonym	pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek
IUPAC Name	2,2-bis(hydroxymethyl)propane-1,3-diol
InChI Key	WXZMFSXDPGVJKK-UHFFFAOYSA-N
Molecular Formula	C₅H₁₂O₄

3',4',5'-Trimethoxyacetophenone, 99%

CAS: 1136-86-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00008738 InChI Key: VUGQIIQFXCXZJU-UHFFFAOYSA-N Synonym: 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene PubChem CID: 14345 ChEBI: CHEBI:86547 IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1OC)C(C)=O

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Specifications

Complex Ketones

PubChem CID	14345
CAS	1136-86-3
Molecular Weight (g/mol)	210.23
ChEBI	CHEBI:86547
MDL Number	MFCD00008738
SMILES	COC1=CC(=CC(OC)=C1OC)C(C)=O
Synonym	3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene
IUPAC Name	1-(3,4,5-trimethoxyphenyl)ethanone
InChI Key	VUGQIIQFXCXZJU-UHFFFAOYSA-N
Molecular Formula	C11H14O4

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3-Methylbutyraldehyde, 98%

CAS: 590-86-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007014 InChI Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N Synonym: isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde PubChem CID: 11552 ChEBI: CHEBI:16638 IUPAC Name: 3-methylbutanal SMILES: CC(C)CC=O

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Specifications

Complex Aldehydes

PubChem CID	11552
CAS	590-86-3
Molecular Weight (g/mol)	86.13
ChEBI	CHEBI:16638
MDL Number	MFCD00007014
SMILES	CC(C)CC=O
Synonym	isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde
IUPAC Name	3-methylbutanal
InChI Key	YGHRJJRRZDOVPD-UHFFFAOYSA-N
Molecular Formula	C5H10O

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