Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.

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1,996 – 2,010 of 22,273 results

1,996

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tert-Butyl 2-bromoisobutyrate, 97%

CAS: 23877-12-5 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00051908 InChI Key: IGVNJALYNQVQIT-UHFFFAOYSA-N PubChem CID: 90290 IUPAC Name: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br

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PubChem CID	90290
CAS	23877-12-5
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00051908
SMILES	CC(C)(C)OC(=O)C(C)(C)Br
IUPAC Name	tert-butyl 2-bromo-2-methylpropanoate
InChI Key	IGVNJALYNQVQIT-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

1,997

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Sodium n-nonyl sulfate, 99%

CAS: 1072-15-7 Molecular Formula: C9H19NaO4S Molecular Weight (g/mol): 246.297 MDL Number: MFCD00024893 InChI Key: FTWCSAMTIKSPAT-UHFFFAOYSA-M Synonym: sodium nonyl sulfate,sodium nonyl sulphate,sodium n-nonyl sulfate,sulfuric acid, monononyl ester, sodium salt,unii-ft7kj97ok6,ft7kj97ok6,sulfuric acid, monononyl ester, sodium salt 1:1,sodium n-nonyl sulphate,dsstox_cid_27487,dsstox_rid_82377 PubChem CID: 23677967 IUPAC Name: sodium;nonyl sulfate SMILES: CCCCCCCCCOS(=O)(=O)[O-].[Na+]

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PubChem CID	23677967
CAS	1072-15-7
Molecular Weight (g/mol)	246.297
MDL Number	MFCD00024893
SMILES	CCCCCCCCCOS(=O)(=O)[O-].[Na+]
Synonym	sodium nonyl sulfate,sodium nonyl sulphate,sodium n-nonyl sulfate,sulfuric acid, monononyl ester, sodium salt,unii-ft7kj97ok6,ft7kj97ok6,sulfuric acid, monononyl ester, sodium salt 1:1,sodium n-nonyl sulphate,dsstox_cid_27487,dsstox_rid_82377
IUPAC Name	sodium;nonyl sulfate
InChI Key	FTWCSAMTIKSPAT-UHFFFAOYSA-M
Molecular Formula	C9H19NaO4S

1,998

alpha-D-Galactose pentaacetate

CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

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PubChem CID	6432426
CAS	4163-59-1
Molecular Weight (g/mol)	390.34
ChEBI	CHEBI:63145
MDL Number	MFCD00064081
SMILES	CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym	alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose
IUPAC Name	[(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI Key	LPTITAGPBXDDGR-UHFFFAOYNA-N
Molecular Formula	C16H22O11

1,999

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tert-Butyl bromoacetate, 98%

CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

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PubChem CID	79177
CAS	5292-43-3
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000188
SMILES	CC(C)(C)OC(=O)CBr
Synonym	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
IUPAC Name	tert-butyl 2-bromoacetate
InChI Key	BNWCETAHAJSBFG-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

2,000

2-Keto-D-gluconic acid hemicalcium salt monohydrate, 99%

CAS: 3470-37-9 Molecular Formula: C12H20CaO14 Molecular Weight (g/mol): 428.356 MDL Number: MFCD00149104 InChI Key: QACANIDDQFGAJU-JQTJLMCZSA-N Synonym: calcium 2-keto-d-gluconate PubChem CID: 131852723 IUPAC Name: calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid SMILES: C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]

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PubChem CID	131852723
CAS	3470-37-9
Molecular Weight (g/mol)	428.356
MDL Number	MFCD00149104
SMILES	C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]
Synonym	calcium 2-keto-d-gluconate
IUPAC Name	calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
InChI Key	QACANIDDQFGAJU-JQTJLMCZSA-N
Molecular Formula	C12H20CaO14

2,001

4-Aminoimidazole-5-carboxamide hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 72-40-2 Molecular Formula: C4H7ClN4O Molecular Weight (g/mol): 162.58 MDL Number: MFCD00012704 InChI Key: MXCUYSMIELHIQL-UHFFFAOYSA-N Synonym: 4-amino-5-imidazolecarboxamide hydrochloride,5-amino-4-imidazolecarboxamide hydrochloride,5-amino-1h-imidazole-4-carboxamide hydrochloride,5-aminoimidazole-4-carboxamide hydrochloride,aic .cntdot. hcl,4-amino-1h-imidazole-5-carboxamide hydrochloride,aminoimidazolecarboxamide hydrochloride,4-aminoimidazole-5-carboxamide hydrochloride,1h-imidazole-4-carboxamide, 5-amino-, monohydrochloride,5-aminoimidazol-4-carboxamide, hydrochloride PubChem CID: 66146 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide;hydrochloride SMILES: Cl.NC(=O)C1=C(N)N=CN1

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PubChem CID	66146
CAS	72-40-2
Molecular Weight (g/mol)	162.58
MDL Number	MFCD00012704
SMILES	Cl.NC(=O)C1=C(N)N=CN1
Synonym	4-amino-5-imidazolecarboxamide hydrochloride,5-amino-4-imidazolecarboxamide hydrochloride,5-amino-1h-imidazole-4-carboxamide hydrochloride,5-aminoimidazole-4-carboxamide hydrochloride,aic .cntdot. hcl,4-amino-1h-imidazole-5-carboxamide hydrochloride,aminoimidazolecarboxamide hydrochloride,4-aminoimidazole-5-carboxamide hydrochloride,1h-imidazole-4-carboxamide, 5-amino-, monohydrochloride,5-aminoimidazol-4-carboxamide, hydrochloride
IUPAC Name	4-amino-1H-imidazole-5-carboxamide;hydrochloride
InChI Key	MXCUYSMIELHIQL-UHFFFAOYSA-N
Molecular Formula	C4H7ClN4O

2,002

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3,5-Dimethyladamantane-1-carboxylic acid, 97%

CAS: 14670-94-1 Molecular Formula: C13H19O2 Molecular Weight (g/mol): 207.29 MDL Number: MFCD00188067 InChI Key: BSWOQWGHXZTDOO-QGVZIFMBSA-M Synonym: 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl PubChem CID: 2736224 IUPAC Name: 3,5-dimethyladamantane-1-carboxylic acid SMILES: C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O

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PubChem CID	2736224
CAS	14670-94-1
Molecular Weight (g/mol)	207.29
MDL Number	MFCD00188067
SMILES	C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O
Synonym	3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl
IUPAC Name	3,5-dimethyladamantane-1-carboxylic acid
InChI Key	BSWOQWGHXZTDOO-QGVZIFMBSA-M
Molecular Formula	C13H19O2

2,003

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Trimethylacetamide, 98%

CAS: 754-10-9 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00008011 InChI Key: XIPFMBOWZXULIA-UHFFFAOYSA-N Synonym: pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide PubChem CID: 12957 IUPAC Name: 2,2-dimethylpropanamide SMILES: CC(C)(C)C(N)=O

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PubChem CID	12957
CAS	754-10-9
Molecular Weight (g/mol)	101.15
MDL Number	MFCD00008011
SMILES	CC(C)(C)C(N)=O
Synonym	pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide
IUPAC Name	2,2-dimethylpropanamide
InChI Key	XIPFMBOWZXULIA-UHFFFAOYSA-N
Molecular Formula	C5H11NO

2,004

n-Hexylphosphonic acid

CAS: 4721-24-8 Molecular Formula: C6H15O3P Molecular Weight (g/mol): 166.157 MDL Number: MFCD00013961 InChI Key: GJWAEWLHSDGBGG-UHFFFAOYSA-N Synonym: n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid PubChem CID: 312552 IUPAC Name: hexylphosphonic acid SMILES: CCCCCCP(=O)(O)O

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PubChem CID	312552
CAS	4721-24-8
Molecular Weight (g/mol)	166.157
MDL Number	MFCD00013961
SMILES	CCCCCCP(=O)(O)O
Synonym	n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid
IUPAC Name	hexylphosphonic acid
InChI Key	GJWAEWLHSDGBGG-UHFFFAOYSA-N
Molecular Formula	C6H15O3P

2,005

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1-Acetamidoadamantane, 97%

CAS: 880-52-4 Molecular Formula: C₁₂H₁₉NO Molecular Weight (g/mol): 193.29 MDL Number: MFCD00074730 InChI Key: BCVXYGJCDZPKGV-UHFFFAOYSA-N Synonym: 1-acetamidoadamantane,n-1-adamantyl acetamide,n-adamantan-1-yl acetamide,1-acetylaminoadamantane,1-adamantylacetamide,acetamide, n-1-adamantyl,n-adamantylacetamide,1-acetamino adamantane,unii-5283y1voii,n-acetyl adamantamine PubChem CID: 64153 IUPAC Name: N-(1-adamantyl)acetamide SMILES: CC(=O)NC12CC3CC(C1)CC(C3)C2

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PubChem CID	64153
CAS	880-52-4
Molecular Weight (g/mol)	193.29
MDL Number	MFCD00074730
SMILES	CC(=O)NC12CC3CC(C1)CC(C3)C2
Synonym	1-acetamidoadamantane,n-1-adamantyl acetamide,n-adamantan-1-yl acetamide,1-acetylaminoadamantane,1-adamantylacetamide,acetamide, n-1-adamantyl,n-adamantylacetamide,1-acetamino adamantane,unii-5283y1voii,n-acetyl adamantamine
IUPAC Name	N-(1-adamantyl)acetamide
InChI Key	BCVXYGJCDZPKGV-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₉NO

2,006

MilliporeSigma™ Urea, OmniPur™, Calbiochem™,

CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N

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PubChem CID	1176
CAS	57-13-6
Molecular Weight (g/mol)	60.056
ChEBI	CHEBI:48376
SMILES	C(=O)(N)N
Synonym	carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate
IUPAC Name	urea
InChI Key	XSQUKJJJFZCRTK-UHFFFAOYSA-N
Molecular Formula	CH4N2O

2,007

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Triethylene glycol dimethacrylate, contains MEHQ as inhibitor

CAS: 109-16-0 Molecular Formula: C14H22O6 Molecular Weight (g/mol): 286.32 InChI Key: HWSSEYVMGDIFMH-UHFFFAOYSA-N IUPAC Name: 2-(2-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}ethoxy)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C

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CAS	109-16-0
Molecular Weight (g/mol)	286.32
SMILES	CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C
IUPAC Name	2-(2-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}ethoxy)ethyl 2-methylprop-2-enoate
InChI Key	HWSSEYVMGDIFMH-UHFFFAOYSA-N
Molecular Formula	C14H22O6

2,008

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m-Tolylacetic acid, 97%

CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1

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PubChem CID	12121
CAS	621-36-3
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00004340
SMILES	CC1=CC=CC(CC(O)=O)=C1
Synonym	3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate
IUPAC Name	2-(3-methylphenyl)acetic acid
InChI Key	GJMPSRSMBJLKKB-UHFFFAOYSA-N
Molecular Formula	C9H10O2

2,009

Iron(II) gluconate hydrate, 97%

CAS: 22830-45-1 Molecular Formula: C12H26FeO16 Molecular Weight (g/mol): 482.17 MDL Number: MFCD00150872 InChI Key: OKGNXSFAYMSVNN-SYAJEJNSSA-L Synonym: iron ii gluconate hydrate PubChem CID: 131851469 IUPAC Name: iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;dihydrate SMILES: O.O.[Fe++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O

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PubChem CID	131851469
CAS	22830-45-1
Molecular Weight (g/mol)	482.17
MDL Number	MFCD00150872
SMILES	O.O.[Fe++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
Synonym	iron ii gluconate hydrate
IUPAC Name	iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;dihydrate
InChI Key	OKGNXSFAYMSVNN-SYAJEJNSSA-L
Molecular Formula	C12H26FeO16

2,010

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n-Propyl Acetate, 99%, Spectrum™ Chemical

CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N IUPAC Name: propyl acetate SMILES: CCCOC(C)=O

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CAS	109-60-4
Molecular Weight (g/mol)	102.13
SMILES	CCCOC(C)=O
IUPAC Name	propyl acetate
InChI Key	YKYONYBAUNKHLG-UHFFFAOYSA-N
Molecular Formula	C5H10O2

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