Carboxylic acids and derivatives
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1-Methyl-1H-pyrazole-3-carboxylic acid, 96%
CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O
| PubChem CID | 573176 |
|---|---|
| CAS | 25016-20-0 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:74738 |
| MDL Number | MFCD00464254 |
| SMILES | CN1C=CC(=N1)C(O)=O |
| Synonym | 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-methylpyrazole-3-carboxylic acid |
| InChI Key | YBFIKNNFQIBIQZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
Edetate Disodium, Dihydrate, BiotechGrade, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Edetate Disodium Dihydrogen, Dihydrate, Primary Standard, 99.9-100.1%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| CAS | 6381-92-6 |
|---|---|
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Valeramide, 97%
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.15 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Acetic hydrazide, 96%
CAS: 1068-57-1 Molecular Formula: C2H6N2O Molecular Weight (g/mol): 74.083 MDL Number: MFCD00007610 InChI Key: OFLXLNCGODUUOT-UHFFFAOYSA-N Synonym: acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine PubChem CID: 14039 ChEBI: CHEBI:48978 IUPAC Name: acetohydrazide SMILES: CC(=O)NN
| PubChem CID | 14039 |
|---|---|
| CAS | 1068-57-1 |
| Molecular Weight (g/mol) | 74.083 |
| ChEBI | CHEBI:48978 |
| MDL Number | MFCD00007610 |
| SMILES | CC(=O)NN |
| Synonym | acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine |
| IUPAC Name | acetohydrazide |
| InChI Key | OFLXLNCGODUUOT-UHFFFAOYSA-N |
| Molecular Formula | C2H6N2O |
Sodium Ascorbate, Powder, USP, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Sodium Ascorbate, FCC, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
MilliporeSigma™ BAPTA, Tetra sodium Salt, Calbiochem™,
CAS: 126824-24-6 Molecular Formula: C22H20N2Na4O10 Molecular Weight (g/mol): 564.37 MDL Number: MFCD02683087 InChI Key: ZWSMLJACYSGFKD-UHFFFAOYSA-J Synonym: bapta-na4,bapta tetrasodium,bapta tetrasodium salt,sodium 2,2',2,2'-ethane-1,2-diylbis oxy bis 2,1-phenylene bis azanetriyl tetraacetate,bapta, tetrasodium salt,bapta tetrasodium salt hydrate,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetrasodium salt,tetrasodium 1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetate,1,2-bis 2-aminophenoxy-ethane-n,n,n, n-tetraacetic acid tetrasodium salt,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetrasodium salt hplc PubChem CID: 2734965 IUPAC Name: tetrasodium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC([O-])=O)CC([O-])=O
| PubChem CID | 2734965 |
|---|---|
| CAS | 126824-24-6 |
| Molecular Weight (g/mol) | 564.37 |
| MDL Number | MFCD02683087 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC([O-])=O)CC([O-])=O |
| Synonym | bapta-na4,bapta tetrasodium,bapta tetrasodium salt,sodium 2,2',2,2'-ethane-1,2-diylbis oxy bis 2,1-phenylene bis azanetriyl tetraacetate,bapta, tetrasodium salt,bapta tetrasodium salt hydrate,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetrasodium salt,tetrasodium 1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetate,1,2-bis 2-aminophenoxy-ethane-n,n,n, n-tetraacetic acid tetrasodium salt,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetrasodium salt hplc |
| IUPAC Name | tetrasodium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate |
| InChI Key | ZWSMLJACYSGFKD-UHFFFAOYSA-J |
| Molecular Formula | C22H20N2Na4O10 |
n-Butyl acetate, Semiconductor Grade, 99% min
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1-Phenyl-1-cyclohexanecarboxylic acid, 95%
CAS: 1135-67-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.27 MDL Number: MFCD00037152 InChI Key: QXXHHHWXFHPNOS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid PubChem CID: 70817 IUPAC Name: 1-phenylcyclohexane-1-carboxylic acid SMILES: C1CCC(CC1)(C2=CC=CC=C2)C(=O)O
| PubChem CID | 70817 |
|---|---|
| CAS | 1135-67-7 |
| Molecular Weight (g/mol) | 204.27 |
| MDL Number | MFCD00037152 |
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid |
| IUPAC Name | 1-phenylcyclohexane-1-carboxylic acid |
| InChI Key | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
Dehydroacetic acid, 98%
CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C
| PubChem CID | 122903 |
|---|---|
| CAS | 520-45-6 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00066709 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Synonym | dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 |
| IUPAC Name | 3-acetyl-6-methylpyran-2,4-dione |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
1-Cyano-1-cyclopropanecarboxylic acid, 97%
CAS: 6914-79-0 Molecular Formula: C5H4NO2 Molecular Weight (g/mol): 110.09 MDL Number: MFCD00190651 InChI Key: KSJJMSKNZVXAND-UHFFFAOYSA-M Synonym: 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid PubChem CID: 2733259 IUPAC Name: 1-cyanocyclopropane-1-carboxylic acid SMILES: [O-]C(=O)C1(CC1)C#N
| PubChem CID | 2733259 |
|---|---|
| CAS | 6914-79-0 |
| Molecular Weight (g/mol) | 110.09 |
| MDL Number | MFCD00190651 |
| SMILES | [O-]C(=O)C1(CC1)C#N |
| Synonym | 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid |
| IUPAC Name | 1-cyanocyclopropane-1-carboxylic acid |
| InChI Key | KSJJMSKNZVXAND-UHFFFAOYSA-M |
| Molecular Formula | C5H4NO2 |
2-Sulfobenzoic acid cyclic anhydride, 95%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
Cyclopropylacetic acid, 97%
CAS: 5239-82-7 Molecular Formula: C5H8O22 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00041544 InChI Key: BXXOHRWKRXBZTG-UHFFFAOYSA-N Synonym: cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid PubChem CID: 138440 IUPAC Name: 2-cyclopropylacetic acid SMILES: CN1CCN(C)B1N=S=NB1N(C)CCN1C
| PubChem CID | 138440 |
|---|---|
| CAS | 5239-82-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00041544 |
| SMILES | CN1CCN(C)B1N=S=NB1N(C)CCN1C |
| Synonym | cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid |
| IUPAC Name | 2-cyclopropylacetic acid |
| InChI Key | BXXOHRWKRXBZTG-UHFFFAOYSA-N |
| Molecular Formula | C5H8O22 |
1-Phenylcyclohexanecarboxylic acid, 99%
CAS: 1135-67-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00037152 InChI Key: QXXHHHWXFHPNOS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid PubChem CID: 70817 IUPAC Name: 1-phenylcyclohexane-1-carboxylic acid SMILES: C1CCC(CC1)(C2=CC=CC=C2)C(=O)O
| PubChem CID | 70817 |
|---|---|
| CAS | 1135-67-7 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00037152 |
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid |
| IUPAC Name | 1-phenylcyclohexane-1-carboxylic acid |
| InChI Key | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |