Carboxylic acids and derivatives
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Methyl 3-phenylpropionate, 98%
CAS: 103-25-3 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00017209 InChI Key: RPUSRLKKXPQSGP-UHFFFAOYSA-N Synonym: methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 PubChem CID: 7643 IUPAC Name: methyl 3-phenylpropanoate SMILES: COC(=O)CCC1=CC=CC=C1
| PubChem CID | 7643 |
|---|---|
| CAS | 103-25-3 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00017209 |
| SMILES | COC(=O)CCC1=CC=CC=C1 |
| Synonym | methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 |
| IUPAC Name | methyl 3-phenylpropanoate |
| InChI Key | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O
| PubChem CID | 574321 |
|---|---|
| CAS | 16042-25-4 |
| Molecular Weight (g/mol) | 112.088 |
| SMILES | C1=CN=C(N1)C(=O)O |
| Synonym | 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole |
| IUPAC Name | 1H-imidazole-2-carboxylic acid |
| InChI Key | KYWMCFOWDYFYLV-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
Calcium Citrate, Tetrahydrate, Powder, FCC, 97.5-100.5%, Spectrum™ Chemical
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CAS: 5785-44-4 Molecular Formula: C12H18Ca3O18 Molecular Weight (g/mol): 570.49 InChI Key: LNIZKKFWMDARJV-UHFFFAOYSA-H IUPAC Name: tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate SMILES: O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 5785-44-4 |
|---|---|
| Molecular Weight (g/mol) | 570.49 |
| SMILES | O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate |
| InChI Key | LNIZKKFWMDARJV-UHFFFAOYSA-H |
| Molecular Formula | C12H18Ca3O18 |
Nicotinic acid hydrazide, 97%
CAS: 553-53-7 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006383 InChI Key: KFUSANSHCADHNJ-UHFFFAOYSA-N Synonym: nicotinohydrazide,nicotinic acid hydrazide,nicotinic hydrazide,niazid,nicotinylhydrazide,nicotinoyl hydrazine,3-pyridoyl hydrazine,3-pyridylcarbonylhydrazine,nicotinoyl hydrazide,hydrazine, nicotinoyl PubChem CID: 11112 IUPAC Name: pyridine-3-carbohydrazide SMILES: NNC(=O)C1=CC=CN=C1
| PubChem CID | 11112 |
|---|---|
| CAS | 553-53-7 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006383 |
| SMILES | NNC(=O)C1=CC=CN=C1 |
| Synonym | nicotinohydrazide,nicotinic acid hydrazide,nicotinic hydrazide,niazid,nicotinylhydrazide,nicotinoyl hydrazine,3-pyridoyl hydrazine,3-pyridylcarbonylhydrazine,nicotinoyl hydrazide,hydrazine, nicotinoyl |
| IUPAC Name | pyridine-3-carbohydrazide |
| InChI Key | KFUSANSHCADHNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Allyl acetate, 97%
CAS: 591-87-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00008721 InChI Key: FWZUNOYOVVKUNF-UHFFFAOYSA-N Synonym: allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i PubChem CID: 11584 IUPAC Name: prop-2-enyl acetate SMILES: CC(=O)OCC=C
| PubChem CID | 11584 |
|---|---|
| CAS | 591-87-7 |
| Molecular Weight (g/mol) | 100.117 |
| MDL Number | MFCD00008721 |
| SMILES | CC(=O)OCC=C |
| Synonym | allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i |
| IUPAC Name | prop-2-enyl acetate |
| InChI Key | FWZUNOYOVVKUNF-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Propionic Acid, BAKER™, J.T. Baker™
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O
| PubChem CID | 1032 |
|---|---|
| CAS | 79-09-4 |
| Molecular Weight (g/mol) | 74.079 |
| ChEBI | CHEBI:30768 |
| SMILES | CCC(=O)O |
| Synonym | propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Ethyl valerate, 99%
CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC
| PubChem CID | 10882 |
|---|---|
| CAS | 539-82-2 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009479 |
| SMILES | CCCCC(=O)OCC |
| Synonym | ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 |
| IUPAC Name | ethyl pentanoate |
| InChI Key | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Sodium DL-Lactate Solution, USP, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |
Trifluoroacetic acid, sodium salt, 97%
CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 IUPAC Name: sodium;2,2,2-trifluoroacetate SMILES: [Na+].[O-]C(=O)C(F)(F)F
| PubChem CID | 517019 |
|---|---|
| CAS | 2923-18-4 |
| Molecular Weight (g/mol) | 136.01 |
| MDL Number | MFCD00013217 |
| SMILES | [Na+].[O-]C(=O)C(F)(F)F |
| Synonym | sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt |
| IUPAC Name | sodium;2,2,2-trifluoroacetate |
| InChI Key | UYCAUPASBSROMS-UHFFFAOYSA-M |
| Molecular Formula | C2F3NaO2 |
Methyl glycolate, 98%
CAS: 96-35-5 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004667 InChI Key: GSJFXBNYJCXDGI-UHFFFAOYSA-N Synonym: methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate PubChem CID: 66774 IUPAC Name: methyl 2-hydroxyacetate SMILES: COC(=O)CO
| PubChem CID | 66774 |
|---|---|
| CAS | 96-35-5 |
| Molecular Weight (g/mol) | 90.078 |
| MDL Number | MFCD00004667 |
| SMILES | COC(=O)CO |
| Synonym | methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate |
| IUPAC Name | methyl 2-hydroxyacetate |
| InChI Key | GSJFXBNYJCXDGI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
3-(4-Chlorophenyl)propionic acid, 94%
CAS: 2019-34-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016555 InChI Key: BBSLOKZINKEUCR-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid PubChem CID: 123137 IUPAC Name: 3-(4-chlorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Cl
| PubChem CID | 123137 |
|---|---|
| CAS | 2019-34-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00016555 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Cl |
| Synonym | 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid |
| IUPAC Name | 3-(4-chlorophenyl)propanoic acid |
| InChI Key | BBSLOKZINKEUCR-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
1-Naphthaleneacetic Acid, 97%, Spectrum™ Chemical
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CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N IUPAC Name: 2-(naphthalen-1-yl)acetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1
| CAS | 86-87-3 |
|---|---|
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004046 |
| SMILES | OC(=O)CC1=C2C=CC=CC2=CC=C1 |
| IUPAC Name | 2-(naphthalen-1-yl)acetic acid |
| InChI Key | PRPINYUDVPFIRX-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Trifluoroacetic acid, ammonium salt, 98%
CAS: 3336-58-1 Molecular Formula: C2H5F3NO2 Molecular Weight (g/mol): 132.06 MDL Number: MFCD00012615,MFCD03095537 InChI Key: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonym: ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci PubChem CID: 86601334 IUPAC Name: azanium;2,2,2-trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F
| PubChem CID | 86601334 |
|---|---|
| CAS | 3336-58-1 |
| Molecular Weight (g/mol) | 132.06 |
| MDL Number | MFCD00012615,MFCD03095537 |
| SMILES | [NH4+].OC(=O)C(F)(F)F |
| Synonym | ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci |
| IUPAC Name | azanium;2,2,2-trifluoroacetic acid |
| InChI Key | YCNIBOIOWCTRCL-UHFFFAOYSA-O |
| Molecular Formula | C2H5F3NO2 |
trans-3-(3-Pyridyl)acrylic acid, 99%
CAS: 19337-97-4 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00006410 InChI Key: VUVORVXMOLQFMO-ONEGZZNKSA-N Synonym: 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid PubChem CID: 776396 IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid SMILES: C1=CC(=CN=C1)C=CC(=O)O
| PubChem CID | 776396 |
|---|---|
| CAS | 19337-97-4 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00006410 |
| SMILES | C1=CC(=CN=C1)C=CC(=O)O |
| Synonym | 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-3-ylprop-2-enoic acid |
| InChI Key | VUVORVXMOLQFMO-ONEGZZNKSA-N |
| Molecular Formula | C8H7NO2 |
Dimethyl oxalate, 99%
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |