Carboxylic acids and derivatives
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BAPTA tetraethyl ester, 98+%
CAS: 73630-07-6 Molecular Formula: C30H40N2O10 Molecular Weight (g/mol): 588.654 MDL Number: MFCD00532663 InChI Key: OLXCPQDFHUCXBA-UHFFFAOYSA-N Synonym: bapta tetraethyl ester,tetraethyl 2,2',2,2'-ethane-1,2-diylbis oxy bis 2,1-phenylene bis azanetriyl tetraacetate,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetraethyl ester,tetraethyl 2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetate,2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy-n-2-ethoxy-2-oxoethyl anilino acetic acid ethyl ester,ethyl 2-2-2-2-bis 2-ethoxy-2-oxidanylidene-ethyl amino phenoxy ethoxy phenyl-2-ethoxy-2-oxidanylidene-ethyl amino ethanoate,ethyl 2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy-n-2-ethoxy-2-oxoethyl anilino acetate,ethyl 2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy phenyl 2-ethoxy-2-oxoethyl amino acetate PubChem CID: 339960 IUPAC Name: ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetate SMILES: CCOC(=O)CN(CC(=O)OCC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCC)CC(=O)OCC
| PubChem CID | 339960 |
|---|---|
| CAS | 73630-07-6 |
| Molecular Weight (g/mol) | 588.654 |
| MDL Number | MFCD00532663 |
| SMILES | CCOC(=O)CN(CC(=O)OCC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCC)CC(=O)OCC |
| Synonym | bapta tetraethyl ester,tetraethyl 2,2',2,2'-ethane-1,2-diylbis oxy bis 2,1-phenylene bis azanetriyl tetraacetate,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid tetraethyl ester,tetraethyl 2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetate,2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy-n-2-ethoxy-2-oxoethyl anilino acetic acid ethyl ester,ethyl 2-2-2-2-bis 2-ethoxy-2-oxidanylidene-ethyl amino phenoxy ethoxy phenyl-2-ethoxy-2-oxidanylidene-ethyl amino ethanoate,ethyl 2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy-n-2-ethoxy-2-oxoethyl anilino acetate,ethyl 2-2-2-2-bis 2-ethoxy-2-oxoethyl amino phenoxy ethoxy phenyl 2-ethoxy-2-oxoethyl amino acetate |
| IUPAC Name | ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetate |
| InChI Key | OLXCPQDFHUCXBA-UHFFFAOYSA-N |
| Molecular Formula | C30H40N2O10 |
Amyl Acetate, Mixed Isomers, BAKER ANALYZED™ Reagent, J.T. Baker™
CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C
| PubChem CID | 12348 |
|---|---|
| CAS | 628-63-7 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:87362 |
| SMILES | CCCCCOC(=O)C |
| Synonym | amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether |
| IUPAC Name | pentyl acetate |
| InChI Key | PGMYKACGEOXYJE-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
(+)-Dibenzoyl-D-tartaric acid, 98+%
CAS: 17026-42-5 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00063222 InChI Key: YONLFQNRGZXBBF-ZCWZLOQUNA-N Synonym: dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid PubChem CID: 1550213 SMILES: OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O
| PubChem CID | 1550213 |
|---|---|
| CAS | 17026-42-5 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00063222 |
| SMILES | OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O |
| Synonym | dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid |
| InChI Key | YONLFQNRGZXBBF-ZCWZLOQUNA-N |
| Molecular Formula | C18H14O8 |
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 |
Sodium Benzoate, Powder, NF, 99-101%, Spectrum™ Chemical
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CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M IUPAC Name: sodium benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
| CAS | 532-32-1 |
|---|---|
| Molecular Weight (g/mol) | 144.11 |
| MDL Number | MFCD00012463 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
| IUPAC Name | sodium benzoate |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2 |
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 |
Sulfur trioxide N,N-dimethylformamide complex, 47+% active SO3
CAS: 29584-42-7 Molecular Formula: C3H7NO4S Molecular Weight (g/mol): 153.15 MDL Number: MFCD00043411 InChI Key: AFDQGRURHDVABZ-UHFFFAOYSA-N Synonym: n,n-dimethylformamide sulfur trioxide complex,dmf-sulfur trioxide complex,n,n-dimethylformamide; sulfur trioxide,sulfur trioxide dimethylformamide complex,formamide, n,n-dimethyl-, compd. with sulfur trioxide 1:1,dmf.so3,n,n-dimethylformamide, compound with sulphur trioxide,dimethyl formamide sulfur trioxide,dimethylformamide; sulfur trioxide,sulfur trioxide n,n-dimethylformamide complex PubChem CID: 169056 IUPAC Name: N,N-dimethylformamide;sulfur trioxide SMILES: O=S(=O)=O.CN(C)C=O
| PubChem CID | 169056 |
|---|---|
| CAS | 29584-42-7 |
| Molecular Weight (g/mol) | 153.15 |
| MDL Number | MFCD00043411 |
| SMILES | O=S(=O)=O.CN(C)C=O |
| Synonym | n,n-dimethylformamide sulfur trioxide complex,dmf-sulfur trioxide complex,n,n-dimethylformamide; sulfur trioxide,sulfur trioxide dimethylformamide complex,formamide, n,n-dimethyl-, compd. with sulfur trioxide 1:1,dmf.so3,n,n-dimethylformamide, compound with sulphur trioxide,dimethyl formamide sulfur trioxide,dimethylformamide; sulfur trioxide,sulfur trioxide n,n-dimethylformamide complex |
| IUPAC Name | N,N-dimethylformamide;sulfur trioxide |
| InChI Key | AFDQGRURHDVABZ-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO4S |
Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 95%, Thermo Scientific™
CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1
| PubChem CID | 77645 |
|---|---|
| CAS | 4027-57-0 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00052514 |
| SMILES | CCOC(=O)C1=NNC(C)=C1 |
| IUPAC Name | ethyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | BOTXQJAHRCGJEG-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
Ethyl isobutyrate, 99%
CAS: 97-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C
| PubChem CID | 7342 |
|---|---|
| CAS | 97-62-1 |
| Molecular Weight (g/mol) | 116.18 |
| ChEBI | CHEBI:87303 |
| MDL Number | MFCD00009165 |
| SMILES | CCOC(=O)C(C)C |
| Synonym | ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural |
| IUPAC Name | ethyl 2-methylpropanoate |
| InChI Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Cesium acetate, 97%, pure
CAS: 3396-11-0 Molecular Formula: C2H3CsO2 Molecular Weight (g/mol): 191.96 MDL Number: MFCD00013056 InChI Key: ZOAIGCHJWKDIPJ-UHFFFAOYSA-M Synonym: cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion PubChem CID: 5152919 IUPAC Name: cesium;acetate SMILES: CC(=O)[O-].[Cs+]
| PubChem CID | 5152919 |
|---|---|
| CAS | 3396-11-0 |
| Molecular Weight (g/mol) | 191.96 |
| MDL Number | MFCD00013056 |
| SMILES | CC(=O)[O-].[Cs+] |
| Synonym | cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion |
| IUPAC Name | cesium;acetate |
| InChI Key | ZOAIGCHJWKDIPJ-UHFFFAOYSA-M |
| Molecular Formula | C2H3CsO2 |
3-(3-Methylphenyl)propionic acid, 96%
CAS: 3751-48-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00060326 InChI Key: VWXVTHDQAOAENP-UHFFFAOYSA-N Synonym: 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid PubChem CID: 138042 IUPAC Name: 3-(3-methylphenyl)propanoic acid SMILES: CC1=CC(=CC=C1)CCC(=O)O
| PubChem CID | 138042 |
|---|---|
| CAS | 3751-48-2 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00060326 |
| SMILES | CC1=CC(=CC=C1)CCC(=O)O |
| Synonym | 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid |
| IUPAC Name | 3-(3-methylphenyl)propanoic acid |
| InChI Key | VWXVTHDQAOAENP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1H-Indole-2-carboxylic acid, 97%, Thermo Scientific™
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
| 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 |
Titriplex™ II, Ethylenedinitrilotetraacetic acid, ACS, MilliporeSigma™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Ethyl pyruvate, 98%
CAS: 617-35-6 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 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
| PubChem CID | 12041 |
|---|---|
| CAS | 617-35-6 |
| Molecular Weight (g/mol) | 116.116 |
| 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 |
Acetazolamide, 99%
CAS: 59-66-5 Molecular Formula: C4H6N4O3S2 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00003105 InChI Key: BZKPWHYZMXOIDC-UHFFFAOYSA-N Synonym: acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran PubChem CID: 1986 ChEBI: CHEBI:27690 IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide SMILES: CC(=O)NC1=NN=C(S1)S(N)(=O)=O
| PubChem CID | 1986 |
|---|---|
| CAS | 59-66-5 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:27690 |
| MDL Number | MFCD00003105 |
| SMILES | CC(=O)NC1=NN=C(S1)S(N)(=O)=O |
| Synonym | acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran |
| IUPAC Name | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChI Key | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O3S2 |