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.

1,411 – 1,425 of 16,393 results

1,411

Indole-2-carboxylic acid, 99%

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	72899
CAS	1477-50-5
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005611
SMILES	OC(=O)C1=CC2=CC=CC=C2N1
Synonym	indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole
IUPAC Name	1H-indole-2-carboxylic acid
InChI Key	HCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

1,412

Sodium formate, 99%

CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.007 MDL Number: MFCD00013101 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]

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Specifications

PubChem CID	2723810
CAS	141-53-7
Molecular Weight (g/mol)	68.007
ChEBI	CHEBI:62965
MDL Number	MFCD00013101
SMILES	C(=O)[O-].[Na+]
Synonym	sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744
IUPAC Name	sodium;formate
InChI Key	HLBBKKJFGFRGMU-UHFFFAOYSA-M
Molecular Formula	CHNaO2

1,413

1-Adamantanecarboxylic acid, 99%

CAS: 828-51-3 Molecular Formula: C₁₁H₁₆O₂ Molecular Weight (g/mol): 180.25 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O

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Specifications

PubChem CID	13235
CAS	828-51-3
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00074720
SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)O
Synonym	1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid
IUPAC Name	adamantane-1-carboxylic acid
InChI Key	JIMXXGFJRDUSRO-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆O₂

1,414

4-Phenylbutyric acid, 99%

CAS: 1821-12-1 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	4775
CAS	1821-12-1
Molecular Weight (g/mol)	164.2
ChEBI	CHEBI:41500
SMILES	C1=CC=C(C=C1)CCCC(=O)O
Synonym	4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid
IUPAC Name	4-phenylbutanoic acid
InChI Key	OBKXEAXTFZPCHS-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

1,415

Cyclopentylacetic acid, 97%

CAS: 1123-00-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001387 InChI Key: YVHAIVPPUIZFBA-UHFFFAOYSA-N Synonym: cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid PubChem CID: 71606 IUPAC Name: 2-cyclopentylacetic acid SMILES: OC(=O)CC1CCCC1

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Specifications

PubChem CID	71606
CAS	1123-00-8
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00001387
SMILES	OC(=O)CC1CCCC1
Synonym	cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid
IUPAC Name	2-cyclopentylacetic acid
InChI Key	YVHAIVPPUIZFBA-UHFFFAOYSA-N
Molecular Formula	C7H12O2

1,416

Methyl chloroacetate, 98%

CAS: 96-34-4 Molecular Formula: C₃H₅ClO₂ Molecular Weight (g/mol): 108.52 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl

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Specifications

PubChem CID	7295
CAS	96-34-4
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00000931
SMILES	COC(=O)CCl
Synonym	methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749
IUPAC Name	methyl 2-chloroacetate
InChI Key	QABLOFMHHSOFRJ-UHFFFAOYSA-N
Molecular Formula	C₃H₅ClO₂

1,417

Thermo Scientific Chemicals 1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose, 98%

CAS: 13100-46-4 Molecular Formula: C14H20O10 Molecular Weight (g/mol): 348.30 MDL Number: MFCD00063260 InChI Key: FEQXFAYSNRWXDW-UHFFFAOYNA-N Synonym: 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranose,beta-d-glucose 1,2,3,4-tetraacetate,2s,3r,4s,5r,6r-6-hydroxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5r,6s-4,5,6-tris acetyloxy-2-hydroxymethyl oxan-3-yl acetate,1,2,3,4-tetra-o-acetylglucopyranose,beta-d-glucopyranose 1,2,3,4-tetraacetate,1,2,3,4-tetra-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose, 1,2,3,4-tetraacetate,b-d-glucopyranose,1,2,3,4-tetraacetate PubChem CID: 83136 IUPAC Name: [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate SMILES: CC(=O)OC1OC(CO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

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Specifications

PubChem CID	83136
CAS	13100-46-4
Molecular Weight (g/mol)	348.30
MDL Number	MFCD00063260
SMILES	CC(=O)OC1OC(CO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym	1,2,3,4-tetra-o-acetyl-beta-d-glucopyranose,beta-d-glucose 1,2,3,4-tetraacetate,2s,3r,4s,5r,6r-6-hydroxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5r,6s-4,5,6-tris acetyloxy-2-hydroxymethyl oxan-3-yl acetate,1,2,3,4-tetra-o-acetylglucopyranose,beta-d-glucopyranose 1,2,3,4-tetraacetate,1,2,3,4-tetra-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose, 1,2,3,4-tetraacetate,b-d-glucopyranose,1,2,3,4-tetraacetate
IUPAC Name	[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
InChI Key	FEQXFAYSNRWXDW-UHFFFAOYNA-N
Molecular Formula	C14H20O10

1,418

n-Octyl gallate, 98+%

CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

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Specifications

PubChem CID	61253
CAS	1034-01-1
Molecular Weight (g/mol)	282.336
ChEBI	CHEBI:83631
MDL Number	MFCD00002197
SMILES	CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove
IUPAC Name	octyl 3,4,5-trihydroxybenzoate
InChI Key	NRPKURNSADTHLJ-UHFFFAOYSA-N
Molecular Formula	C15H22O5

1,419

Ethyl phenylpropiolate, 98+%

CAS: 2216-94-6 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD00009185 InChI Key: ACJOYTKWHPEIHW-UHFFFAOYSA-N Synonym: ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate PubChem CID: 91516 IUPAC Name: ethyl 3-phenylprop-2-ynoate SMILES: CCOC(=O)C#CC1=CC=CC=C1

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Specifications

PubChem CID	91516
CAS	2216-94-6
Molecular Weight (g/mol)	174.199
MDL Number	MFCD00009185
SMILES	CCOC(=O)C#CC1=CC=CC=C1
Synonym	ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate
IUPAC Name	ethyl 3-phenylprop-2-ynoate
InChI Key	ACJOYTKWHPEIHW-UHFFFAOYSA-N
Molecular Formula	C11H10O2

1,420

Cyclopropanecarboxylic acid, 98%

CAS: 1759-53-1 Molecular Formula: C₄H₆O₂ Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O

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Specifications

PubChem CID	15655
CAS	1759-53-1
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:23500
MDL Number	MFCD00001287
SMILES	C1CC1C(=O)O
Synonym	carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid
IUPAC Name	cyclopropanecarboxylic acid
InChI Key	YMGUBTXCNDTFJI-UHFFFAOYSA-N
Molecular Formula	C₄H₆O₂

1,421

Ethyl pyruvate, 98%

CAS: 617-35-6 Molecular Formula: C₅H₈O₃ Molecular Weight (g/mol): 116.12 MDL Number: MFCD00009123 InChI Key: XXRCUYVCPSWGCC-UHFFFAOYSA-N Synonym: ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate PubChem CID: 12041 IUPAC Name: ethyl 2-oxopropanoate SMILES: CCOC(=O)C(=O)C

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Specifications

PubChem CID	12041
CAS	617-35-6
Molecular Weight (g/mol)	116.12
MDL Number	MFCD00009123
SMILES	CCOC(=O)C(=O)C
Synonym	ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate
IUPAC Name	ethyl 2-oxopropanoate
InChI Key	XXRCUYVCPSWGCC-UHFFFAOYSA-N
Molecular Formula	C₅H₈O₃

1,422

N-(Hydroxymethyl)phthalimide, 97%

CAS: 118-29-6 Molecular Formula: C₉H₇NO₃ Molecular Weight (g/mol): 177.16 MDL Number: MFCD00005899 InChI Key: MNSGOOCAMMSKGI-UHFFFAOYSA-N Synonym: n-hydroxymethyl phthalimide,n-hydroxymethylphthalimide,2-hydroxymethyl isoindoline-1,3-dione,phthalimidomethanol,phthalimidomethyl alcohol,n-methylolphthalimide,oxymethyl phthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxymethyl,hydroxymethylphthalimide,methanol, phthalimido PubChem CID: 8354 ChEBI: CHEBI:38816 IUPAC Name: 2-(hydroxymethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CO

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Specifications

PubChem CID	8354
CAS	118-29-6
Molecular Weight (g/mol)	177.16
ChEBI	CHEBI:38816
MDL Number	MFCD00005899
SMILES	C1=CC=C2C(=C1)C(=O)N(C2=O)CO
Synonym	n-hydroxymethyl phthalimide,n-hydroxymethylphthalimide,2-hydroxymethyl isoindoline-1,3-dione,phthalimidomethanol,phthalimidomethyl alcohol,n-methylolphthalimide,oxymethyl phthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxymethyl,hydroxymethylphthalimide,methanol, phthalimido
IUPAC Name	2-(hydroxymethyl)isoindole-1,3-dione
InChI Key	MNSGOOCAMMSKGI-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO₃

1,423

o-Tolylacetic acid, 99%

CAS: 644-36-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004328 InChI Key: RZWGTXHSYZGXKF-UHFFFAOYSA-N Synonym: o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid PubChem CID: 69519 IUPAC Name: 2-(2-methylphenyl)acetic acid SMILES: CC1=CC=CC=C1CC(=O)O

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Specifications

PubChem CID	69519
CAS	644-36-0
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00004328
SMILES	CC1=CC=CC=C1CC(=O)O
Synonym	o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid
IUPAC Name	2-(2-methylphenyl)acetic acid
InChI Key	RZWGTXHSYZGXKF-UHFFFAOYSA-N
Molecular Formula	C9H10O2

1,424

Triethyl 4-phosphonocrotonate, 92%, predominantly trans

CAS: 10236-14-3 Molecular Formula: C10H19O5P Molecular Weight (g/mol): 250.23 MDL Number: MFCD00009192 InChI Key: LXLODBXSCRTXFG-BQYQJAHWSA-N Synonym: triethyl 4-phosphonocrotonate,e-ethyl 4-diethoxyphosphoryl but-2-enoate,ethyl 4-diethoxyphosphoryl but-2-enoate,triethyl .gamma.-phosphonocrotonate,ethyl 4-diethylphosphono crotonate,ethyl 2e-4-diethoxyphosphoryl but-2-enoate,ethyl e-4-diethoxyphosphorylbut-2-enoate,ethyl 4-diethylphosphonocrotonate,ethyl trans-4-diethylphosphono crotonate,4-diethoxyphosphinyl crotonic acid ethyl ester PubChem CID: 5365783 SMILES: CCOC(=O)\C=C\CP(=O)(OCC)OCC

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Specifications

PubChem CID	5365783
CAS	10236-14-3
Molecular Weight (g/mol)	250.23
MDL Number	MFCD00009192
SMILES	CCOC(=O)\C=C\CP(=O)(OCC)OCC
Synonym	triethyl 4-phosphonocrotonate,e-ethyl 4-diethoxyphosphoryl but-2-enoate,ethyl 4-diethoxyphosphoryl but-2-enoate,triethyl .gamma.-phosphonocrotonate,ethyl 4-diethylphosphono crotonate,ethyl 2e-4-diethoxyphosphoryl but-2-enoate,ethyl e-4-diethoxyphosphorylbut-2-enoate,ethyl 4-diethylphosphonocrotonate,ethyl trans-4-diethylphosphono crotonate,4-diethoxyphosphinyl crotonic acid ethyl ester
InChI Key	LXLODBXSCRTXFG-BQYQJAHWSA-N
Molecular Formula	C10H19O5P

1,425

alpha-Fluorophenylacetic acid, 97%

CAS: 1578-63-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004221 InChI Key: ATPPNMLQNZHDOG-UHFFFAOYSA-N Synonym: alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i PubChem CID: 102649 IUPAC Name: 2-fluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)F

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Specifications

PubChem CID	102649
CAS	1578-63-8
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00004221
SMILES	C1=CC=C(C=C1)C(C(=O)O)F
Synonym	alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i
IUPAC Name	2-fluoro-2-phenylacetic acid
InChI Key	ATPPNMLQNZHDOG-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

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