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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1,171 – 1,185 of 17,605 results

1,171

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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Specifications

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

1,172

Hydroxyurea, (Crystalline),MP Biomedicals

CAS: 127-07-1 Molecular Formula: CH4N2O2 Molecular Weight (g/mol): 76.055 InChI Key: VSNHCAURESNICA-UHFFFAOYSA-N Synonym: hydroxycarbamide,n-hydroxyurea,hydrea,1-hydroxyurea,oxyurea,carbamoyl oxime,biosupressin,hydroxycarbamine,onco-carbide,carbamohydroxamic acid PubChem CID: 3657 ChEBI: CHEBI:44423 IUPAC Name: hydroxyurea SMILES: C(=O)(N)NO

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Specifications

PubChem CID	3657
CAS	127-07-1
Molecular Weight (g/mol)	76.055
ChEBI	CHEBI:44423
SMILES	C(=O)(N)NO
Synonym	hydroxycarbamide,n-hydroxyurea,hydrea,1-hydroxyurea,oxyurea,carbamoyl oxime,biosupressin,hydroxycarbamine,onco-carbide,carbamohydroxamic acid
IUPAC Name	hydroxyurea
InChI Key	VSNHCAURESNICA-UHFFFAOYSA-N
Molecular Formula	CH4N2O2

1,173

1-Hexanesulfonic Acid Sodium Salt, HPLC Grade, J.T. Baker™

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 SMILES: [Na+].CCCCCCS([O-])(=O)=O

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Specifications

PubChem CID	23677630
CAS	2832-45-3
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00007542
SMILES	[Na+].CCCCCCS([O-])(=O)=O
Synonym	sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
InChI Key	QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula	C6H13NaO3S

1,174

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 378211-85-9 Molecular Formula: C₇H₅N₃O₂ Molecular Weight (g/mol): 163.14 MDL Number: MFCD00297221 InChI Key: DZPAOAZDQHZRGG-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid PubChem CID: 670824 IUPAC Name: pyrazolo[1,5-a]pyrimidine-2-carboxylic acid SMILES: C1=CN2C(=CC(=N2)C(=O)O)N=C1

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Specifications

PubChem CID	670824
CAS	378211-85-9
Molecular Weight (g/mol)	163.14
MDL Number	MFCD00297221
SMILES	C1=CN2C(=CC(=N2)C(=O)O)N=C1
Synonym	pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid
IUPAC Name	pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI Key	DZPAOAZDQHZRGG-UHFFFAOYSA-N
Molecular Formula	C₇H₅N₃O₂

1,175

Butyramide, 98%

CAS: 541-35-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.122 MDL Number: MFCD00041894 InChI Key: DNSISZSEWVHGLH-UHFFFAOYSA-N Synonym: butyramide,n-butyramide,n-butylamide,butanimidic acid,butanoic acid, amide,unii-9j6or937vr,butyroamide,n-c3h7c o nh2,butyrylamide,butyramid PubChem CID: 10927 ChEBI: CHEBI:50724 IUPAC Name: butanamide SMILES: CCCC(=O)N

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Specifications

PubChem CID	10927
CAS	541-35-5
Molecular Weight (g/mol)	87.122
ChEBI	CHEBI:50724
MDL Number	MFCD00041894
SMILES	CCCC(=O)N
Synonym	butyramide,n-butyramide,n-butylamide,butanimidic acid,butanoic acid, amide,unii-9j6or937vr,butyroamide,n-c3h7c o nh2,butyrylamide,butyramid
IUPAC Name	butanamide
InChI Key	DNSISZSEWVHGLH-UHFFFAOYSA-N
Molecular Formula	C4H9NO

1,176

Diethyl carbonate, 99%

CAS: 105-58-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00009107 InChI Key: OIFBSDVPJOWBCH-UHFFFAOYSA-N Synonym: ethyl carbonate,carbonic acid, diethyl ester,carbonic acid diethyl ester,eufin,diatol,diaethylcarbonat,carbonic ether,ethoxyformic anhydride,diethylkarbonat,ethyl carbonate eto 2co PubChem CID: 7766 IUPAC Name: diethyl carbonate SMILES: CCOC(=O)OCC

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Specifications

PubChem CID	7766
CAS	105-58-8
Molecular Weight (g/mol)	118.13
MDL Number	MFCD00009107
SMILES	CCOC(=O)OCC
Synonym	ethyl carbonate,carbonic acid, diethyl ester,carbonic acid diethyl ester,eufin,diatol,diaethylcarbonat,carbonic ether,ethoxyformic anhydride,diethylkarbonat,ethyl carbonate eto 2co
IUPAC Name	diethyl carbonate
InChI Key	OIFBSDVPJOWBCH-UHFFFAOYSA-N
Molecular Formula	C5H10O3

1,177

N,N'-Diallyl-L-tartardiamide, 99%

CAS: 58477-85-3 Molecular Formula: C10H16N2O4 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00008640 InChI Key: ZRKLEAHGBNDKHM-OCAPTIKFSA-N Synonym: n,n'-diallyltartardiamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-enyl butanediamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-en-1-yl succinamide PubChem CID: 6994946 IUPAC Name: (2S,3S)-2,3-dihydroxy-N,N'-bis(prop-2-enyl)butanediamide SMILES: O[C@@H]([C@@H](O)C(=O)NCC=C)C(=O)NCC=C

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Specifications

PubChem CID	6994946
CAS	58477-85-3
Molecular Weight (g/mol)	228.25
MDL Number	MFCD00008640
SMILES	O[C@@H]([C@@H](O)C(=O)NCC=C)C(=O)NCC=C
Synonym	n,n'-diallyltartardiamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-enyl butanediamide,2r,3s-2,3-dihydroxy-n,n'-bis prop-2-en-1-yl succinamide
IUPAC Name	(2S,3S)-2,3-dihydroxy-N,N'-bis(prop-2-enyl)butanediamide
InChI Key	ZRKLEAHGBNDKHM-OCAPTIKFSA-N
Molecular Formula	C10H16N2O4

1,178

Thermo Scientific Chemicals Cytidine 5'-monophosphate hydrate, 99%

CAS: 63-37-6 Molecular Formula: C9H14N3O8P Molecular Weight (g/mol): 323.20 MDL Number: MFCD00006544 InChI Key: IERHLVCPSMICTF-NHBCCFCANA-N Synonym: 5'-cytidylic acid,cytidylic acid,cytidine 5'-monophosphate,cytidine monophosphate,cytidine-5'-monophosphate,5'-cmp,cytidylate,cytidine 5'-phosphate,cmp nucleotide,cytidine 5'-phosphoric acid PubChem CID: 6131 ChEBI: CHEBI:17361 IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	6131
CAS	63-37-6
Molecular Weight (g/mol)	323.20
ChEBI	CHEBI:17361
MDL Number	MFCD00006544
SMILES	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Synonym	5'-cytidylic acid,cytidylic acid,cytidine 5'-monophosphate,cytidine monophosphate,cytidine-5'-monophosphate,5'-cmp,cytidylate,cytidine 5'-phosphate,cmp nucleotide,cytidine 5'-phosphoric acid
IUPAC Name	[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI Key	IERHLVCPSMICTF-NHBCCFCANA-N
Molecular Formula	C9H14N3O8P

1,179

Ethyl Caprylate, 99+%

CAS: 106-32-1 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009552 InChI Key: YYZUSRORWSJGET-UHFFFAOYSA-N Synonym: ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 PubChem CID: 7799 ChEBI: CHEBI:87426 IUPAC Name: ethyl octanoate SMILES: CCCCCCCC(=O)OCC

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Specifications

PubChem CID	7799
CAS	106-32-1
Molecular Weight (g/mol)	172.27
ChEBI	CHEBI:87426
MDL Number	MFCD00009552
SMILES	CCCCCCCC(=O)OCC
Synonym	ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449
IUPAC Name	ethyl octanoate
InChI Key	YYZUSRORWSJGET-UHFFFAOYSA-N
Molecular Formula	C10H20O2

1,180

Antipyrine, 98%

CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2

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Specifications

PubChem CID	2206
CAS	60-80-0
Molecular Weight (g/mol)	188.23
ChEBI	CHEBI:31225
MDL Number	MFCD00003146
SMILES	CC1=CC(=O)N(N1C)C2=CC=CC=C2
Synonym	antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone
IUPAC Name	1,5-dimethyl-2-phenylpyrazol-3-one
InChI Key	VEQOALNAAJBPNY-UHFFFAOYSA-N
Molecular Formula	C11H12N2O

1,181

n-Butylidenephthalide, (E)+(Z), 95%

CAS: 551-08-6 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00047319,MFCD00047319 InChI Key: WMBOCUXXNSOQHM-DHZHZOJOSA-N Synonym: ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene PubChem CID: 5352899 IUPAC Name: (3E)-3-butylidene-2-benzofuran-1-one SMILES: CCC\C=C1\OC(=O)C2=CC=CC=C12

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Specifications

PubChem CID	5352899
CAS	551-08-6
Molecular Weight (g/mol)	188.23
MDL Number	MFCD00047319,MFCD00047319
SMILES	CCC\C=C1\OC(=O)C2=CC=CC=C12
Synonym	ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene
IUPAC Name	(3E)-3-butylidene-2-benzofuran-1-one
InChI Key	WMBOCUXXNSOQHM-DHZHZOJOSA-N
Molecular Formula	C12H12O2

1,182

2-Bromoacetamide, 98%

CAS: 683-57-8 Molecular Formula: C2H4BrNO Molecular Weight (g/mol): 137.964 MDL Number: MFCD00008025 InChI Key: JUIKUQOUMZUFQT-UHFFFAOYSA-N Synonym: bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ PubChem CID: 69632 IUPAC Name: 2-bromoacetamide SMILES: C(C(=O)N)Br

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Specifications

PubChem CID	69632
CAS	683-57-8
Molecular Weight (g/mol)	137.964
MDL Number	MFCD00008025
SMILES	C(C(=O)N)Br
Synonym	bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@
IUPAC Name	2-bromoacetamide
InChI Key	JUIKUQOUMZUFQT-UHFFFAOYSA-N
Molecular Formula	C2H4BrNO

1,183

3-Aminophenylboronic acid monohydrate, 98%

CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 MDL Number: MFCD00149554 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate PubChem CID: 14389423 IUPAC Name: (3-aminophenyl)boronic acid;hydrate SMILES: O.NC1=CC=CC(=C1)B(O)O

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Specifications

PubChem CID	14389423
CAS	206658-89-1
Molecular Weight (g/mol)	154.96
MDL Number	MFCD00149554
SMILES	O.NC1=CC=CC(=C1)B(O)O
Synonym	3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate
IUPAC Name	(3-aminophenyl)boronic acid;hydrate
InChI Key	XAEOVQODHLLNKX-UHFFFAOYSA-N
Molecular Formula	C6H10BNO3

1,184

Adamantane-1-carboxylic acid, 99%

CAS: 828-51-3 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 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)	180.247
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

1,185

Pyridazine-3-carboxylic acid, 97%

CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD01646333 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O

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Specifications

PubChem CID	269369
CAS	2164-61-6
Molecular Weight (g/mol)	124.099
MDL Number	MFCD01646333
SMILES	C1=CC(=NN=C1)C(=O)O
Synonym	3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid;
IUPAC Name	pyridazine-3-carboxylic acid
InChI Key	RUUOPSRRIKJHNH-UHFFFAOYSA-N
Molecular Formula	C5H4N2O2

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