Organic acids and derivatives
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5-(Methylsulfonyl)pyridine-3-boronic acid, 98%
CAS: 913836-01-8 Molecular Formula: C6H8BNO4S Molecular Weight (g/mol): 201.00 MDL Number: MFCD08689536 InChI Key: YGXNPQDXWDCWET-UHFFFAOYSA-N Synonym: 5-methylsulphonyl pyridine-3-boronic acid,5-methylsulfonyl pyridine-3-boronic acid,5-methylsulfonyl pyridin-3-yl boronic acid,5-methylsulfonyl-3-pyridineboronic acid,boronicacid, b-5-methylsulfonyl-3-pyridinyl,5-methanesulfonylpyridin-3-ylboronic acid,b-5-methylsulfonyl-3-pyridinyl boronic acid,acmc-209ram PubChem CID: 44119381 IUPAC Name: (5-methanesulfonylpyridin-3-yl)boronic acid SMILES: CS(=O)(=O)C1=CN=CC(=C1)B(O)O
| PubChem CID | 44119381 |
|---|---|
| CAS | 913836-01-8 |
| Molecular Weight (g/mol) | 201.00 |
| MDL Number | MFCD08689536 |
| SMILES | CS(=O)(=O)C1=CN=CC(=C1)B(O)O |
| Synonym | 5-methylsulphonyl pyridine-3-boronic acid,5-methylsulfonyl pyridine-3-boronic acid,5-methylsulfonyl pyridin-3-yl boronic acid,5-methylsulfonyl-3-pyridineboronic acid,boronicacid, b-5-methylsulfonyl-3-pyridinyl,5-methanesulfonylpyridin-3-ylboronic acid,b-5-methylsulfonyl-3-pyridinyl boronic acid,acmc-209ram |
| IUPAC Name | (5-methanesulfonylpyridin-3-yl)boronic acid |
| InChI Key | YGXNPQDXWDCWET-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO4S |
Diphenyl phosphate, 97%
CAS: 838-85-7 Molecular Formula: C12H11O4P Molecular Weight (g/mol): 250.19 MDL Number: MFCD00003033 InChI Key: ASMQGLCHMVWBQR-UHFFFAOYSA-N Synonym: diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 PubChem CID: 13282 IUPAC Name: diphenyl hydrogen phosphate SMILES: OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 13282 |
|---|---|
| CAS | 838-85-7 |
| Molecular Weight (g/mol) | 250.19 |
| MDL Number | MFCD00003033 |
| SMILES | OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 |
| IUPAC Name | diphenyl hydrogen phosphate |
| InChI Key | ASMQGLCHMVWBQR-UHFFFAOYSA-N |
| Molecular Formula | C12H11O4P |
Ethyl 3-methyl-2-oxobutyrate, 95%
CAS: 20201-24-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009122 InChI Key: CKTYYUQUWFEUCO-UHFFFAOYSA-N Synonym: ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate PubChem CID: 88406 IUPAC Name: ethyl 3-methyl-2-oxobutanoate SMILES: CCOC(=O)C(=O)C(C)C
| PubChem CID | 88406 |
|---|---|
| CAS | 20201-24-5 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009122 |
| SMILES | CCOC(=O)C(=O)C(C)C |
| Synonym | ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate |
| IUPAC Name | ethyl 3-methyl-2-oxobutanoate |
| InChI Key | CKTYYUQUWFEUCO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
N-Boc-2-methyl-D-serine methyl ester, 97%, Thermo Scientific Chemicals
CAS: 188476-33-7 Molecular Formula: C10H19NO5 Molecular Weight (g/mol): 233.264 MDL Number: MFCD06797553 InChI Key: OUUNEDPIBZNRMT-SNVBAGLBSA-N Synonym: n-boc-alpha-methyl-d-serine methyl ester,n-boc-2-methyl-d-serine methyl ester,n-tert-butoxycarbonyl-2-methyl-d-serine methyl ester,r-methyl 2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoate,methyl 2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoate PubChem CID: 10752097 IUPAC Name: methyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate SMILES: CC(C)(C)OC(=O)NC(C)(CO)C(=O)OC
| PubChem CID | 10752097 |
|---|---|
| CAS | 188476-33-7 |
| Molecular Weight (g/mol) | 233.264 |
| MDL Number | MFCD06797553 |
| SMILES | CC(C)(C)OC(=O)NC(C)(CO)C(=O)OC |
| Synonym | n-boc-alpha-methyl-d-serine methyl ester,n-boc-2-methyl-d-serine methyl ester,n-tert-butoxycarbonyl-2-methyl-d-serine methyl ester,r-methyl 2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoate,methyl 2r-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoate |
| IUPAC Name | methyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI Key | OUUNEDPIBZNRMT-SNVBAGLBSA-N |
| Molecular Formula | C10H19NO5 |
n-Butyl acetate, 99+%
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 |
Propyl Gallate, NF, 98-102%, Spectrum™ Chemical
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CAS: 121-79-9 Molecular Weight (g/mol): 212.2 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(O)=C(O)C(O)=C1
| CAS | 121-79-9 |
|---|---|
| Molecular Weight (g/mol) | 212.2 |
| SMILES | CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 |
| IUPAC Name | propyl 3,4,5-trihydroxybenzoate |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
Propionic Acid, FCC, 99.5-100.5%, Spectrum™ Chemical
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CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N IUPAC Name: propanoic acid SMILES: CCC(O)=O
| CAS | 79-09-4 |
|---|---|
| Molecular Weight (g/mol) | 74.08 |
| SMILES | CCC(O)=O |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O
| PubChem CID | 78949 |
|---|---|
| CAS | 120-74-1 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00085356 |
| SMILES | C1C2CC(C1C=C2)C(=O)O |
| Synonym | 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid |
| IUPAC Name | bicyclo[2.2.1]hept-2-ene-5-carboxylic acid |
| InChI Key | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Trimethyl 1,3,5-benzenetricarboxylate, 98%
CAS: 2672-58-4 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.222 MDL Number: MFCD00008434 InChI Key: RGCHNYAILFZUPL-UHFFFAOYSA-N Synonym: trimethyl 1,3,5-benzenetricarboxylate,trimethyl trimesate,trimesic acid trimethyl ester,1,3,5-benzenetricarboxylic acid, trimethyl ester,1,3,5-benzenetricarboxylic acid trimethyl ester,trimethylbenzene-1,3,5-tricarboxylate,1,3,5-trimethyl benzene-1,3,5-tricarboxylate,methyl 3,5-bis methoxycarbonyl benzoate,benzene-1,3,5-tricarboxylic acid trimethyl ester,timtec-bb sbb007766 PubChem CID: 75881 IUPAC Name: trimethyl benzene-1,3,5-tricarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC
| PubChem CID | 75881 |
|---|---|
| CAS | 2672-58-4 |
| Molecular Weight (g/mol) | 252.222 |
| MDL Number | MFCD00008434 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
| Synonym | trimethyl 1,3,5-benzenetricarboxylate,trimethyl trimesate,trimesic acid trimethyl ester,1,3,5-benzenetricarboxylic acid, trimethyl ester,1,3,5-benzenetricarboxylic acid trimethyl ester,trimethylbenzene-1,3,5-tricarboxylate,1,3,5-trimethyl benzene-1,3,5-tricarboxylate,methyl 3,5-bis methoxycarbonyl benzoate,benzene-1,3,5-tricarboxylic acid trimethyl ester,timtec-bb sbb007766 |
| IUPAC Name | trimethyl benzene-1,3,5-tricarboxylate |
| InChI Key | RGCHNYAILFZUPL-UHFFFAOYSA-N |
| Molecular Formula | C12H12O6 |
Ethyl 1H-pyrazole-4-carboxylate, 98%
CAS: 37622-90-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00010844 InChI Key: KACZQOKEFKFNDB-UHFFFAOYSA-N PubChem CID: 142179 IUPAC Name: ethyl 1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=CNN=C1
| PubChem CID | 142179 |
|---|---|
| CAS | 37622-90-5 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00010844 |
| SMILES | CCOC(=O)C1=CNN=C1 |
| IUPAC Name | ethyl 1H-pyrazole-4-carboxylate |
| InChI Key | KACZQOKEFKFNDB-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
| CAS | 3891-07-4 |
|---|---|
| MDL Number | MFCD00005903 |
Methyl (S)-(-)-lactate, 97%
CAS: 27871-49-4 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00064265 InChI Key: LPEKGGXMPWTOCB-VKHMYHEASA-N Synonym: methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester PubChem CID: 94386 ChEBI: CHEBI:83222 IUPAC Name: methyl (2S)-2-hydroxypropanoate SMILES: COC(=O)[C@H](C)O
| PubChem CID | 94386 |
|---|---|
| CAS | 27871-49-4 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:83222 |
| MDL Number | MFCD00064265 |
| SMILES | COC(=O)[C@H](C)O |
| Synonym | methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester |
| IUPAC Name | methyl (2S)-2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
| Molecular Formula | C4H8O3 |
4-n-Butylbenzamide, 97%
CAS: 107377-07-1 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00221466 InChI Key: KFINRIKJBULSTD-UHFFFAOYSA-N Synonym: 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 PubChem CID: 2801458 IUPAC Name: 4-butylbenzamide SMILES: CCCCC1=CC=C(C=C1)C(=O)N
| PubChem CID | 2801458 |
|---|---|
| CAS | 107377-07-1 |
| Molecular Weight (g/mol) | 177.247 |
| MDL Number | MFCD00221466 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)N |
| Synonym | 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 |
| IUPAC Name | 4-butylbenzamide |
| InChI Key | KFINRIKJBULSTD-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
5-Hydroxyquinoline, 99%
CAS: 578-67-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006792 InChI Key: GVNQVWJYDXOLST-UHFFFAOYSA-N Synonym: 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline PubChem CID: 11360 IUPAC Name: 1H-quinolin-5-one SMILES: C1=CC(=O)C2=CC=CNC2=C1
| PubChem CID | 11360 |
|---|---|
| CAS | 578-67-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006792 |
| SMILES | C1=CC(=O)C2=CC=CNC2=C1 |
| Synonym | 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline |
| IUPAC Name | 1H-quinolin-5-one |
| InChI Key | GVNQVWJYDXOLST-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
3-(Methylcarbamoyl)benzeneboronic acid, 98%
CAS: 832695-88-2 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD04038918 InChI Key: FYFFPNFUVMBPRZ-UHFFFAOYSA-N Synonym: 3-n-methylaminocarbonyl phenylboronic acid,3-methylcarbamoyl phenyl boronic acid,3-methylcarbamoyl benzeneboronic acid,3-methylcarbamoyl phenylboronic acid,3-n-methylaminocarbonyl benzeneboronic acid,3-borono-n-methylbenzamide,boronic acid, 3-methylamino carbonyl phenyl,acmc-209prq,ksc496e8l PubChem CID: 2773524 IUPAC Name: [3-(methylcarbamoyl)phenyl]boronic acid SMILES: CNC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773524 |
|---|---|
| CAS | 832695-88-2 |
| Molecular Weight (g/mol) | 178.98 |
| MDL Number | MFCD04038918 |
| SMILES | CNC(=O)C1=CC=CC(=C1)B(O)O |
| Synonym | 3-n-methylaminocarbonyl phenylboronic acid,3-methylcarbamoyl phenyl boronic acid,3-methylcarbamoyl benzeneboronic acid,3-methylcarbamoyl phenylboronic acid,3-n-methylaminocarbonyl benzeneboronic acid,3-borono-n-methylbenzamide,boronic acid, 3-methylamino carbonyl phenyl,acmc-209prq,ksc496e8l |
| IUPAC Name | [3-(methylcarbamoyl)phenyl]boronic acid |
| InChI Key | FYFFPNFUVMBPRZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10BNO3 |