Organic acids and derivatives
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3-Carboxy-4-methoxybenzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 913836-12-1 Molecular Formula: C8H9BO5 Molecular Weight (g/mol): 195.965 MDL Number: MFCD06203322 InChI Key: YZKWFWNYFKBAHO-UHFFFAOYSA-N Synonym: 3-carboxy-4-methoxyphenylboronic acid,5-dihydroxyboranyl-2-methoxybenzoic acid,benzoicacid, 5-borono-2-methoxy-9ci,3-carboxy-4-methoxybenzeneboronic acid,benzoic acid, 5-borono-2-methoxy,acmc-209raw,ksc486i0n,5-dihydroxyboryl-2-methoxybenzoic acid PubChem CID: 44119154 IUPAC Name: 5-borono-2-methoxybenzoic acid SMILES: B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O
| PubChem CID | 44119154 |
|---|---|
| CAS | 913836-12-1 |
| Molecular Weight (g/mol) | 195.965 |
| MDL Number | MFCD06203322 |
| SMILES | B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O |
| Synonym | 3-carboxy-4-methoxyphenylboronic acid,5-dihydroxyboranyl-2-methoxybenzoic acid,benzoicacid, 5-borono-2-methoxy-9ci,3-carboxy-4-methoxybenzeneboronic acid,benzoic acid, 5-borono-2-methoxy,acmc-209raw,ksc486i0n,5-dihydroxyboryl-2-methoxybenzoic acid |
| IUPAC Name | 5-borono-2-methoxybenzoic acid |
| InChI Key | YZKWFWNYFKBAHO-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO5 |
Benzyl acrylate, 98%, stab. with ca 150ppm 4-methoxyphenol
CAS: 2495-35-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00048147 InChI Key: GCTPMLUUWLLESL-UHFFFAOYSA-N Synonym: benzyl acrylate,benzylacrylate,2-propenoic acid, phenylmethyl ester,sartomer sr 432,acrylic acid, benzyl ester,acrylic acid benzyl ester,phenylmethyl prop-2-enoate,benzyl 2-propenoate,fancryl fa-bza,acrylic acid benzyl PubChem CID: 75617 IUPAC Name: benzyl prop-2-enoate SMILES: C=CC(=O)OCC1=CC=CC=C1
| PubChem CID | 75617 |
|---|---|
| CAS | 2495-35-4 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00048147 |
| SMILES | C=CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acrylate,benzylacrylate,2-propenoic acid, phenylmethyl ester,sartomer sr 432,acrylic acid, benzyl ester,acrylic acid benzyl ester,phenylmethyl prop-2-enoate,benzyl 2-propenoate,fancryl fa-bza,acrylic acid benzyl |
| IUPAC Name | benzyl prop-2-enoate |
| InChI Key | GCTPMLUUWLLESL-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Methyl 3-[3-(dimethylamino)propoxy]benzoate, 97%, Thermo Scientific™
CAS: 921938-75-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD09702393 InChI Key: WGAZXKVAWOAUOI-UHFFFAOYSA-N Synonym: methyl 3-3-dimethylamino propoxy benzoate PubChem CID: 24229605 IUPAC Name: methyl 3-[3-(dimethylamino)propoxy]benzoate SMILES: CN(C)CCCOC1=CC=CC(=C1)C(=O)OC
| PubChem CID | 24229605 |
|---|---|
| CAS | 921938-75-2 |
| Molecular Weight (g/mol) | 237.299 |
| MDL Number | MFCD09702393 |
| SMILES | CN(C)CCCOC1=CC=CC(=C1)C(=O)OC |
| Synonym | methyl 3-3-dimethylamino propoxy benzoate |
| IUPAC Name | methyl 3-[3-(dimethylamino)propoxy]benzoate |
| InChI Key | WGAZXKVAWOAUOI-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO3 |
Methyl tiglate, 98%
CAS: 6622-76-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00016654 InChI Key: YYJWBYNQJLBIGS-PLNGDYQASA-N Synonym: methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e PubChem CID: 5323652 IUPAC Name: methyl (E)-2-methylbut-2-enoate SMILES: COC(=O)C(\C)=C/C
| PubChem CID | 5323652 |
|---|---|
| CAS | 6622-76-0 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00016654 |
| SMILES | COC(=O)C(\C)=C/C |
| Synonym | methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e |
| IUPAC Name | methyl (E)-2-methylbut-2-enoate |
| InChI Key | YYJWBYNQJLBIGS-PLNGDYQASA-N |
| Molecular Formula | C6H10O2 |
Methyl 3-methylphenylacetate, 98%
CAS: 53088-69-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00968468 InChI Key: AWTKFTNNPQGGLX-UHFFFAOYSA-N Synonym: methyl 2-m-tolyl acetate,methyl 3-methylphenylacetate,methyl 2-3-methylphenyl acetate,3-methylphenylacetic acid methyl ester,benzeneacetic acid, 3-methyl-, methyl ester,methyl 2-m-tolylacetate,m-tolylacetic acid methyl ester,m-toly-acetic acid methyl ester,m-tolyl-acetic acid methyl ester,methyl 2-3-methylphenyl ethanoate PubChem CID: 5135288 IUPAC Name: methyl 2-(3-methylphenyl)acetate SMILES: COC(=O)CC1=CC=CC(C)=C1
| PubChem CID | 5135288 |
|---|---|
| CAS | 53088-69-0 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00968468 |
| SMILES | COC(=O)CC1=CC=CC(C)=C1 |
| Synonym | methyl 2-m-tolyl acetate,methyl 3-methylphenylacetate,methyl 2-3-methylphenyl acetate,3-methylphenylacetic acid methyl ester,benzeneacetic acid, 3-methyl-, methyl ester,methyl 2-m-tolylacetate,m-tolylacetic acid methyl ester,m-toly-acetic acid methyl ester,m-tolyl-acetic acid methyl ester,methyl 2-3-methylphenyl ethanoate |
| IUPAC Name | methyl 2-(3-methylphenyl)acetate |
| InChI Key | AWTKFTNNPQGGLX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Propionic acid, 99+%, extra pure
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00002756 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) | 74.08 |
| ChEBI | CHEBI:30768 |
| MDL Number | MFCD00002756 |
| 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 3-phenylpropionate, 98+%
CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1
| PubChem CID | 16237 |
|---|---|
| CAS | 2021-28-5 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009206 |
| SMILES | CCOC(=O)CCC1=CC=CC=C1 |
| Synonym | ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate |
| IUPAC Name | ethyl 3-phenylpropanoate |
| InChI Key | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Cyanophenylboronic acid, 97%
CAS: 126747-14-6 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01318968 InChI Key: CEBAHYWORUOILU-UHFFFAOYSA-N Synonym: 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid PubChem CID: 2734326 IUPAC Name: (4-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C#N
| PubChem CID | 2734326 |
|---|---|
| CAS | 126747-14-6 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01318968 |
| SMILES | OB(O)C1=CC=C(C=C1)C#N |
| Synonym | 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid |
| IUPAC Name | (4-cyanophenyl)boronic acid |
| InChI Key | CEBAHYWORUOILU-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |
Cyclopropylboronic acid pinacol ester, 95%
CAS: 126689-01-8 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD05663847 InChI Key: XGBMQBPLWXTEPM-UHFFFAOYSA-N Synonym: cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh PubChem CID: 2758015 IUPAC Name: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1CC1
| PubChem CID | 2758015 |
|---|---|
| CAS | 126689-01-8 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD05663847 |
| SMILES | CC1(C)OB(OC1(C)C)C1CC1 |
| Synonym | cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh |
| IUPAC Name | 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | XGBMQBPLWXTEPM-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
Methanesulfonamide, 98%
CAS: 3144-09-0 Molecular Formula: CH5NO2S Molecular Weight (g/mol): 95.12 MDL Number: MFCD00007940 InChI Key: HNQIVZYLYMDVSB-UHFFFAOYSA-N Synonym: methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide PubChem CID: 72879 IUPAC Name: methanesulfonamide SMILES: CS(N)(=O)=O
| PubChem CID | 72879 |
|---|---|
| CAS | 3144-09-0 |
| Molecular Weight (g/mol) | 95.12 |
| MDL Number | MFCD00007940 |
| SMILES | CS(N)(=O)=O |
| Synonym | methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide |
| IUPAC Name | methanesulfonamide |
| InChI Key | HNQIVZYLYMDVSB-UHFFFAOYSA-N |
| Molecular Formula | CH5NO2S |
Citric acid, trisodium salt, 98%, pure, anhydrous
CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K Synonym: sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous PubChem CID: 6224 ChEBI: CHEBI:53258 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 6224 |
|---|---|
| CAS | 68-04-2 |
| Molecular Weight (g/mol) | 258.07 |
| ChEBI | CHEBI:53258 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
Di-tert-butyl hydrazodiformate, 97%
CAS: 16466-61-8 Molecular Formula: C10H20N2O4 Molecular Weight (g/mol): 232.28 InChI Key: TYSZETYVESRFNT-UHFFFAOYSA-N Synonym: di-tert-butyl hydrazodicarboxylate,di-tert-butyl hydrazine-1,2-dicarboxylate,di-tert-butyl hydrazodiformate,di-tert-butyl bicarbamate,n,n'-di-boc-hydrazine,n,n'-bis tert-butoxycarbonyl hydrazine,di-tert-butyl-1,2-hydrazodicarboxylate,1,2-hydrazinedicarboxylic acid, bis 1,1-dimethylethyl ester,tert-butyl n-2-methylpropan-2-yl oxycarbonylamino carbamate,n'-tert-butoxy carbonyl tert-butoxy carbohydrazide PubChem CID: 85431 IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate SMILES: CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C
| PubChem CID | 85431 |
|---|---|
| CAS | 16466-61-8 |
| Molecular Weight (g/mol) | 232.28 |
| SMILES | CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C |
| Synonym | di-tert-butyl hydrazodicarboxylate,di-tert-butyl hydrazine-1,2-dicarboxylate,di-tert-butyl hydrazodiformate,di-tert-butyl bicarbamate,n,n'-di-boc-hydrazine,n,n'-bis tert-butoxycarbonyl hydrazine,di-tert-butyl-1,2-hydrazodicarboxylate,1,2-hydrazinedicarboxylic acid, bis 1,1-dimethylethyl ester,tert-butyl n-2-methylpropan-2-yl oxycarbonylamino carbamate,n'-tert-butoxy carbonyl tert-butoxy carbohydrazide |
| IUPAC Name | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate |
| InChI Key | TYSZETYVESRFNT-UHFFFAOYSA-N |
| Molecular Formula | C10H20N2O4 |
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 |
Benzyl carbazate, 98+%
CAS: 5331-43-1 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041890 InChI Key: RXUBZLMIGSAPEJ-UHFFFAOYSA-N Synonym: benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc PubChem CID: 79242 IUPAC Name: benzyl N-aminocarbamate SMILES: C1=CC=C(C=C1)COC(=O)NN
| PubChem CID | 79242 |
|---|---|
| CAS | 5331-43-1 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00041890 |
| SMILES | C1=CC=C(C=C1)COC(=O)NN |
| Synonym | benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc |
| IUPAC Name | benzyl N-aminocarbamate |
| InChI Key | RXUBZLMIGSAPEJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Ethyl 4-pyridineacetate, 98%
CAS: 54401-85-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00051830 InChI Key: QVLJLWHOILVHJJ-UHFFFAOYSA-N Synonym: ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate PubChem CID: 736321 IUPAC Name: ethyl 2-pyridin-4-ylacetate SMILES: CCOC(=O)CC1=CC=NC=C1
| PubChem CID | 736321 |
|---|---|
| CAS | 54401-85-3 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00051830 |
| SMILES | CCOC(=O)CC1=CC=NC=C1 |
| Synonym | ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate |
| IUPAC Name | ethyl 2-pyridin-4-ylacetate |
| InChI Key | QVLJLWHOILVHJJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |