Organic acids and derivatives
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1-Methyl-5-thien-2-yl-1H-pyrazole-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 869901-15-5 Molecular Formula: C9H8N2O2S Molecular Weight (g/mol): 208.235 MDL Number: MFCD08271952 InChI Key: URCWVEMABYSGJA-UHFFFAOYSA-N Synonym: 1-methyl-5-thien-2-yl-1h-pyrazole-3-carboxylic acid,1-methyl-5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-2-thienyl,1-methyl-5-thiophen-2-yl pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl-5-2-thienyl,1-methyl-5-2-thienyl-1h-pyrazole-3-carboxylic acid,1-methyl-5-2-thienyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-5-thien-2-yl-1h-pyrazole PubChem CID: 7537648 IUPAC Name: 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid SMILES: CN1C(=CC(=N1)C(=O)O)C2=CC=CS2
| PubChem CID | 7537648 |
|---|---|
| CAS | 869901-15-5 |
| Molecular Weight (g/mol) | 208.235 |
| MDL Number | MFCD08271952 |
| SMILES | CN1C(=CC(=N1)C(=O)O)C2=CC=CS2 |
| Synonym | 1-methyl-5-thien-2-yl-1h-pyrazole-3-carboxylic acid,1-methyl-5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-2-thienyl,1-methyl-5-thiophen-2-yl pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl-5-2-thienyl,1-methyl-5-2-thienyl-1h-pyrazole-3-carboxylic acid,1-methyl-5-2-thienyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-5-thien-2-yl-1h-pyrazole |
| IUPAC Name | 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid |
| InChI Key | URCWVEMABYSGJA-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2S |
Quinoline-8-sulfonic acid, 98%
CAS: 85-48-3 Molecular Formula: C9H7NO3S Molecular Weight (g/mol): 209.219 MDL Number: MFCD00024037 InChI Key: SXVRECLPTCOMIA-UHFFFAOYSA-N Synonym: 8-quinolinesulfonic acid,quinoline-8-sulphonic acid,unii-84y9b81o6x,ccris 6936,8-sulfoquinoline,cambridge id 5135395,quinoline-8-sulfonic??acid,ksc242e8p,8-quinolinesulfonic acid;quinoline-8-sulfonic acid PubChem CID: 66561 IUPAC Name: quinoline-8-sulfonic acid SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)N=CC=C2
| PubChem CID | 66561 |
|---|---|
| CAS | 85-48-3 |
| Molecular Weight (g/mol) | 209.219 |
| MDL Number | MFCD00024037 |
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)N=CC=C2 |
| Synonym | 8-quinolinesulfonic acid,quinoline-8-sulphonic acid,unii-84y9b81o6x,ccris 6936,8-sulfoquinoline,cambridge id 5135395,quinoline-8-sulfonic??acid,ksc242e8p,8-quinolinesulfonic acid;quinoline-8-sulfonic acid |
| IUPAC Name | quinoline-8-sulfonic acid |
| InChI Key | SXVRECLPTCOMIA-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3S |
N-Methylbenzamide, 99%
CAS: 613-93-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00011642 InChI Key: NCCHARWOCKOHIH-UHFFFAOYSA-N Synonym: benzamide, n-methyl,n-methylbenzenamide,n-methyl-benzamide,n-methylbenzenecarboxamide,unii-k3ed781e08,ccris 4670,n-methyl benzamide,n-methylbenzimidic acid,acmc-1bb7i,dsstox_cid_5570 PubChem CID: 11954 IUPAC Name: N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1
| PubChem CID | 11954 |
|---|---|
| CAS | 613-93-4 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00011642 |
| SMILES | CNC(=O)C1=CC=CC=C1 |
| Synonym | benzamide, n-methyl,n-methylbenzenamide,n-methyl-benzamide,n-methylbenzenecarboxamide,unii-k3ed781e08,ccris 4670,n-methyl benzamide,n-methylbenzimidic acid,acmc-1bb7i,dsstox_cid_5570 |
| IUPAC Name | N-methylbenzamide |
| InChI Key | NCCHARWOCKOHIH-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Sodium Valproate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 1069-66-5 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M IUPAC Name: sodium 2-propylpentanoate SMILES: [Na+].CCCC(CCC)C([O-])=O
| CAS | 1069-66-5 |
|---|---|
| Molecular Weight (g/mol) | 166.20 |
| SMILES | [Na+].CCCC(CCC)C([O-])=O |
| IUPAC Name | sodium 2-propylpentanoate |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| Molecular Formula | C8H15NaO2 |
Sodium Pyruvate, MP Biomedicals
CAS: 113-24-6 Molecular Formula: C3H3NaO3 Molecular Weight (g/mol): 110.044 InChI Key: DAEPDZWVDSPTHF-UHFFFAOYSA-M Synonym: sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08 PubChem CID: 23662274 ChEBI: CHEBI:50144 IUPAC Name: sodium;2-oxopropanoate SMILES: CC(=O)C(=O)[O-].[Na+]
| PubChem CID | 23662274 |
|---|---|
| CAS | 113-24-6 |
| Molecular Weight (g/mol) | 110.044 |
| ChEBI | CHEBI:50144 |
| SMILES | CC(=O)C(=O)[O-].[Na+] |
| Synonym | sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08 |
| IUPAC Name | sodium;2-oxopropanoate |
| InChI Key | DAEPDZWVDSPTHF-UHFFFAOYSA-M |
| Molecular Formula | C3H3NaO3 |
Disodium EDTA, Dihydrate, FCC, 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 |
2-(1-Benzofuran-3-yl)ethyl 4-methylbenzenesulfonate, ≥97%, Thermo Scientific™
CAS: 26278-25-1 Molecular Formula: C17H16O4S Molecular Weight (g/mol): 316.37 MDL Number: MFCD08271906 InChI Key: OEJOFPWUQPRTDR-UHFFFAOYSA-N Synonym: 2-1-benzofuran-3-yl ethyl 4-methylbenzenesulfonate,3-benzofuranethanol,3-4-methylbenzenesulfonate,p-toluenesulfonic acid 2-benzofuran-3-yl ethyl ester,2-1-benzofuran-3-yl ethyl 4-methylbenzene-1-sulfonate,2-1-benzo b furan-3-yl ethyl-4-methylbenzenesulfonate PubChem CID: 19081435 IUPAC Name: 2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC1=COC2=CC=CC=C12
| PubChem CID | 19081435 |
|---|---|
| CAS | 26278-25-1 |
| Molecular Weight (g/mol) | 316.37 |
| MDL Number | MFCD08271906 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC1=COC2=CC=CC=C12 |
| Synonym | 2-1-benzofuran-3-yl ethyl 4-methylbenzenesulfonate,3-benzofuranethanol,3-4-methylbenzenesulfonate,p-toluenesulfonic acid 2-benzofuran-3-yl ethyl ester,2-1-benzofuran-3-yl ethyl 4-methylbenzene-1-sulfonate,2-1-benzo b furan-3-yl ethyl-4-methylbenzenesulfonate |
| IUPAC Name | 2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate |
| InChI Key | OEJOFPWUQPRTDR-UHFFFAOYSA-N |
| Molecular Formula | C17H16O4S |
m-Tolylacetic acid, 99%
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1
| PubChem CID | 12121 |
|---|---|
| CAS | 621-36-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004340 |
| SMILES | CC1=CC=CC(CC(O)=O)=C1 |
| Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Methyl isopropyl carbonate, 97%
CAS: 51729-83-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD01075689 InChI Key: RCIJMMSZBQEWKW-UHFFFAOYSA-N Synonym: methyl isopropyl carbonate,isopropyl methyl carbonate,acmc-20akf7,ch3 c o och ch3 2,carbonic acid methylisopropyl ester PubChem CID: 7021530 IUPAC Name: methyl propan-2-yl carbonate SMILES: COC(=O)OC(C)C
| PubChem CID | 7021530 |
|---|---|
| CAS | 51729-83-0 |
| Molecular Weight (g/mol) | 118.13 |
| MDL Number | MFCD01075689 |
| SMILES | COC(=O)OC(C)C |
| Synonym | methyl isopropyl carbonate,isopropyl methyl carbonate,acmc-20akf7,ch3 c o och ch3 2,carbonic acid methylisopropyl ester |
| IUPAC Name | methyl propan-2-yl carbonate |
| InChI Key | RCIJMMSZBQEWKW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Cesium Acetate, Ultrapure, 99.99%, Spectrum™ Chemical
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CAS: 3396-11-0
| CAS | 3396-11-0 |
|---|
2-Furamide, 97%
CAS: 609-38-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00236147 InChI Key: TVFIYRKPCACCNL-UHFFFAOYSA-N Synonym: 2-furamide,furamide,2-furancarboxamide,furfurylamide,2-furoamide,furoylamide,unii-8ig4632c1y,furancarboxamide,acmc-20anu6 PubChem CID: 69108 IUPAC Name: furan-2-carboxamide SMILES: C1=COC(=C1)C(=O)N
| PubChem CID | 69108 |
|---|---|
| CAS | 609-38-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00236147 |
| SMILES | C1=COC(=C1)C(=O)N |
| Synonym | 2-furamide,furamide,2-furancarboxamide,furfurylamide,2-furoamide,furoylamide,unii-8ig4632c1y,furancarboxamide,acmc-20anu6 |
| IUPAC Name | furan-2-carboxamide |
| InChI Key | TVFIYRKPCACCNL-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
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 |
1-Methylcyclohexanecarboxylic acid, 99%
CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
| PubChem CID | 70744 |
|---|---|
| CAS | 1123-25-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00001463 |
| SMILES | CC1(CCCCC1)C(=O)O |
| Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
| IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
| InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
alpha-D-Galactose pentaacetate
CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 6432426 |
|---|---|
| CAS | 4163-59-1 |
| Molecular Weight (g/mol) | 390.34 |
| ChEBI | CHEBI:63145 |
| MDL Number | MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate, 98%
CAS: 141942-85-0 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00270839 InChI Key: LOQFROBMBSKWQY-ZCFIWIBFSA-N Synonym: ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester PubChem CID: 2733879 IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CC#N
| PubChem CID | 2733879 |
|---|---|
| CAS | 141942-85-0 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00270839 |
| SMILES | CCOC(=O)C[C@H](O)CC#N |
| Synonym | ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester |
| IUPAC Name | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| InChI Key | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
| Molecular Formula | C7H11NO3 |