Organic acids and derivatives
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Ethyl 2,3-Dibromobutyrate 95.0+%, TCI America™
CAS: 609-11-0 Molecular Formula: C6H10Br2O2 Molecular Weight (g/mol): 273.952 MDL Number: MFCD00017863 InChI Key: YPZLAXFGOUPECS-UHFFFAOYSA-N Synonym: 2,3-Dibromobutyric Acid Ethyl Ester PubChem CID: 98157 IUPAC Name: ethyl 2,3-dibromobutanoate SMILES: CCOC(=O)C(C(C)Br)Br
| PubChem CID | 98157 |
|---|---|
| CAS | 609-11-0 |
| Molecular Weight (g/mol) | 273.952 |
| MDL Number | MFCD00017863 |
| SMILES | CCOC(=O)C(C(C)Br)Br |
| Synonym | 2,3-Dibromobutyric Acid Ethyl Ester |
| IUPAC Name | ethyl 2,3-dibromobutanoate |
| InChI Key | YPZLAXFGOUPECS-UHFFFAOYSA-N |
| Molecular Formula | C6H10Br2O2 |
trans,trans-4'-Ethylbicyclohexyl-4-carboxylic Acid 98.0+%, TCI America™
CAS: 84976-67-0 Molecular Formula: C15H26O2 Molecular Weight (g/mol): 238.371 MDL Number: MFCD05864406 InChI Key: OQIHEFMTIUJJET-UHFFFAOYSA-N Synonym: trans,trans-4′C-Ethyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic Acid PubChem CID: 11694375 IUPAC Name: 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid SMILES: CCC1CCC(CC1)C2CCC(CC2)C(=O)O
| PubChem CID | 11694375 |
|---|---|
| CAS | 84976-67-0 |
| Molecular Weight (g/mol) | 238.371 |
| MDL Number | MFCD05864406 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C(=O)O |
| Synonym | trans,trans-4′C-Ethyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic Acid |
| IUPAC Name | 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid |
| InChI Key | OQIHEFMTIUJJET-UHFFFAOYSA-N |
| Molecular Formula | C15H26O2 |
Isopropyl Hexanoate 98.0+%, TCI America™
CAS: 2311-46-8 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 MDL Number: MFCD00059436 InChI Key: JSHDAORXSNJOBA-UHFFFAOYSA-N Synonym: Hexanoic Acid Isopropyl Ester PubChem CID: 16832 IUPAC Name: propan-2-yl hexanoate SMILES: CCCCCC(=O)OC(C)C
| PubChem CID | 16832 |
|---|---|
| CAS | 2311-46-8 |
| Molecular Weight (g/mol) | 158.241 |
| MDL Number | MFCD00059436 |
| SMILES | CCCCCC(=O)OC(C)C |
| Synonym | Hexanoic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl hexanoate |
| InChI Key | JSHDAORXSNJOBA-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one 95.0+%, TCI America™
CAS: 87769-39-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00060139 InChI Key: NZEPEQVPVAXLSY-UHFFFAOYSA-N PubChem CID: 537695 IUPAC Name: 2,2,5,6-tetramethyl-1,3-dioxin-4-one SMILES: CC1=C(OC(OC1=O)(C)C)C
| PubChem CID | 537695 |
|---|---|
| CAS | 87769-39-9 |
| Molecular Weight (g/mol) | 156.181 |
| MDL Number | MFCD00060139 |
| SMILES | CC1=C(OC(OC1=O)(C)C)C |
| IUPAC Name | 2,2,5,6-tetramethyl-1,3-dioxin-4-one |
| InChI Key | NZEPEQVPVAXLSY-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
3-Phenylpyrazole-5-carboxylic Acid Hydrate 97.0+%, TCI America™
CAS: 5071-61-4 Molecular Formula: C10H7N2O2 Molecular Weight (g/mol): 187.18 MDL Number: MFCD01248821,MFCD05170017 InChI Key: QBPUOAJBMXXBNU-UHFFFAOYSA-M PubChem CID: 121025 IUPAC Name: 3-phenyl-1H-pyrazole-5-carboxylate SMILES: [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1
| PubChem CID | 121025 |
|---|---|
| CAS | 5071-61-4 |
| Molecular Weight (g/mol) | 187.18 |
| MDL Number | MFCD01248821,MFCD05170017 |
| SMILES | [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1 |
| IUPAC Name | 3-phenyl-1H-pyrazole-5-carboxylate |
| InChI Key | QBPUOAJBMXXBNU-UHFFFAOYSA-M |
| Molecular Formula | C10H7N2O2 |
Bis(phenylacetyl) Disulfide 98.0+%, TCI America™
CAS: 15088-78-5 Molecular Formula: C16H14O2S2 Molecular Weight (g/mol): 302.41 MDL Number: MFCD00513572 InChI Key: IXGZXXBJSZISOO-UHFFFAOYSA-N Synonym: phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate PubChem CID: 3378603 IUPAC Name: 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one SMILES: O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1
| PubChem CID | 3378603 |
|---|---|
| CAS | 15088-78-5 |
| Molecular Weight (g/mol) | 302.41 |
| MDL Number | MFCD00513572 |
| SMILES | O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1 |
| Synonym | phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate |
| IUPAC Name | 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one |
| InChI Key | IXGZXXBJSZISOO-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2S2 |
cis-3-Hexenyl Isobutyrate 95.0+%, TCI America™
CAS: 41519-23-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00036529 InChI Key: OSMAJVWUIUORGC-WAYWQWQTSA-N Synonym: Isobutyric Acid cis-3-Hexenyl Ester PubChem CID: 5352539 IUPAC Name: [(Z)-hex-3-enyl] 2-methylpropanoate SMILES: CCC=CCCOC(=O)C(C)C
| PubChem CID | 5352539 |
|---|---|
| CAS | 41519-23-7 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00036529 |
| SMILES | CCC=CCCOC(=O)C(C)C |
| Synonym | Isobutyric Acid cis-3-Hexenyl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] 2-methylpropanoate |
| InChI Key | OSMAJVWUIUORGC-WAYWQWQTSA-N |
| Molecular Formula | C10H18O2 |
3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride), TCI America™
CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate PubChem CID: 14389423
| PubChem CID | 14389423 |
|---|---|
| CAS | 206658-89-1 |
| Molecular Weight (g/mol) | 154.96 |
| Synonym | 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate |
| InChI Key | XAEOVQODHLLNKX-UHFFFAOYSA-N |
| Molecular Formula | C6H10BNO3 |
Rhodanine-3-propionic Acid 98.0+%, TCI America™
CAS: 7025-19-6 Molecular Formula: C6H7NO3S2 Molecular Weight (g/mol): 205.246 MDL Number: MFCD00022558 InChI Key: SWAHCTPCIUXXTQ-UHFFFAOYSA-N Synonym: N-(2-Carboxyethyl)rhodanine PubChem CID: 81492 IUPAC Name: 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid SMILES: C1C(=O)N(C(=S)S1)CCC(=O)O
| PubChem CID | 81492 |
|---|---|
| CAS | 7025-19-6 |
| Molecular Weight (g/mol) | 205.246 |
| MDL Number | MFCD00022558 |
| SMILES | C1C(=O)N(C(=S)S1)CCC(=O)O |
| Synonym | N-(2-Carboxyethyl)rhodanine |
| IUPAC Name | 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| InChI Key | SWAHCTPCIUXXTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S2 |
Ethyl cis-4,7,10,13,16,19-Docosahexaenoate 97.0+%, TCI America™
CAS: 84494-72-4 Molecular Formula: C24H36O2 Molecular Weight (g/mol): 356.55 MDL Number: MFCD00056293 InChI Key: ITNKVODZACVXDS-UYXIOUCRSA-N Synonym: DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester PubChem CID: 71771404 IUPAC Name: ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC
| PubChem CID | 71771404 |
|---|---|
| CAS | 84494-72-4 |
| Molecular Weight (g/mol) | 356.55 |
| MDL Number | MFCD00056293 |
| SMILES | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC |
| Synonym | DHA Ethyl Ester, cis-4,7,10,13,16,19-Docosahexaenoic Acid Ethyl Ester |
| IUPAC Name | ethyl (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate |
| InChI Key | ITNKVODZACVXDS-UYXIOUCRSA-N |
| Molecular Formula | C24H36O2 |
2-Phenoxyethyl Methacrylate (stabilized with HQ + MEHQ) 85.0+%, TCI America™
CAS: 10595-06-9 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00053685 InChI Key: CEXQWAAGPPNOQF-UHFFFAOYSA-N Synonym: Methacrylic Acid 2-Phenoxyethyl Ester, Ethylene Glycol Monophenyl Ether Methacrylate PubChem CID: 66357 IUPAC Name: 2-phenoxyethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCOC1=CC=CC=C1
| PubChem CID | 66357 |
|---|---|
| CAS | 10595-06-9 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD00053685 |
| SMILES | CC(=C)C(=O)OCCOC1=CC=CC=C1 |
| Synonym | Methacrylic Acid 2-Phenoxyethyl Ester, Ethylene Glycol Monophenyl Ether Methacrylate |
| IUPAC Name | 2-phenoxyethyl 2-methylprop-2-enoate |
| InChI Key | CEXQWAAGPPNOQF-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
1-Methylpyrazole-3-carboxylic Acid 97.0+%, TCI America™
CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methyl-1H-pyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O
| PubChem CID | 573176 |
|---|---|
| CAS | 25016-20-0 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:74738 |
| MDL Number | MFCD00464254 |
| SMILES | CN1C=CC(=N1)C(O)=O |
| Synonym | 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-methyl-1H-pyrazole-3-carboxylic acid |
| InChI Key | YBFIKNNFQIBIQZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
tert-Butyl 3-(Isopropyl)carbazate 98.0+%, TCI America™
CAS: 16689-35-3 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.24 MDL Number: MFCD14635748 InChI Key: PUAKAEDMCXRDPR-UHFFFAOYSA-N Synonym: 3-(Isopropyl)carbazic Acid tert-Butyl Ester, 1-tert-Butoxycarbonyl-2-isopropylhydrazine, 1-Boc-2-isopropylhydrazine PubChem CID: 11217534 IUPAC Name: N'-(propan-2-yl)(tert-butoxy)carbohydrazide SMILES: CC(C)NNC(=O)OC(C)(C)C
| PubChem CID | 11217534 |
|---|---|
| CAS | 16689-35-3 |
| Molecular Weight (g/mol) | 174.24 |
| MDL Number | MFCD14635748 |
| SMILES | CC(C)NNC(=O)OC(C)(C)C |
| Synonym | 3-(Isopropyl)carbazic Acid tert-Butyl Ester, 1-tert-Butoxycarbonyl-2-isopropylhydrazine, 1-Boc-2-isopropylhydrazine |
| IUPAC Name | N'-(propan-2-yl)(tert-butoxy)carbohydrazide |
| InChI Key | PUAKAEDMCXRDPR-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2O2 |
Sodium 2,2-Dichloropropionate 85.0+%, TCI America™
CAS: 127-20-8 Molecular Formula: C3H3Cl2NaO2 Molecular Weight (g/mol): 164.945 MDL Number: MFCD00064199 InChI Key: PDEFQWNXOUGDJR-UHFFFAOYSA-M Synonym: 2,2-Dichloropropionic Acid Sodium Salt PubChem CID: 517058 IUPAC Name: sodium;2,2-dichloropropanoate SMILES: CC(C(=O)[O-])(Cl)Cl.[Na+]
| PubChem CID | 517058 |
|---|---|
| CAS | 127-20-8 |
| Molecular Weight (g/mol) | 164.945 |
| MDL Number | MFCD00064199 |
| SMILES | CC(C(=O)[O-])(Cl)Cl.[Na+] |
| Synonym | 2,2-Dichloropropionic Acid Sodium Salt |
| IUPAC Name | sodium;2,2-dichloropropanoate |
| InChI Key | PDEFQWNXOUGDJR-UHFFFAOYSA-M |
| Molecular Formula | C3H3Cl2NaO2 |
Isopropyl Propionate 99.0+%, TCI America™
CAS: 637-78-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00051553 InChI Key: IJMWOMHMDSDKGK-UHFFFAOYSA-N Synonym: isopropyl propionate,propanoic acid, 1-methylethyl ester,isopropyl propanoate,propionic acid isopropyl ester,propionic acid, isopropyl ester,1-methylethyl propanoate,unii-ngb0ak08t9,iso-propyl propanoate,iso-propyl n-propionate,ngb0ak08t9 PubChem CID: 12508 IUPAC Name: propan-2-yl propanoate SMILES: CCC(=O)OC(C)C
| PubChem CID | 12508 |
|---|---|
| CAS | 637-78-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00051553 |
| SMILES | CCC(=O)OC(C)C |
| Synonym | isopropyl propionate,propanoic acid, 1-methylethyl ester,isopropyl propanoate,propionic acid isopropyl ester,propionic acid, isopropyl ester,1-methylethyl propanoate,unii-ngb0ak08t9,iso-propyl propanoate,iso-propyl n-propionate,ngb0ak08t9 |
| IUPAC Name | propan-2-yl propanoate |
| InChI Key | IJMWOMHMDSDKGK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |