Organic acids and derivatives
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1-Phenyloxindole 98.0+%, TCI America™
CAS: 3335-98-6 Molecular Formula: C14H11NO Molecular Weight (g/mol): 209.25 MDL Number: MFCD00234850 InChI Key: OWPNVXATCSXTBK-UHFFFAOYSA-N Synonym: 1-Phenyl-2-indolinone, 2-Oxo-1-phenylindoline PubChem CID: 314787 IUPAC Name: 1-phenyl-2,3-dihydro-1H-indol-2-one SMILES: O=C1CC2=CC=CC=C2N1C1=CC=CC=C1
| PubChem CID | 314787 |
|---|---|
| CAS | 3335-98-6 |
| Molecular Weight (g/mol) | 209.25 |
| MDL Number | MFCD00234850 |
| SMILES | O=C1CC2=CC=CC=C2N1C1=CC=CC=C1 |
| Synonym | 1-Phenyl-2-indolinone, 2-Oxo-1-phenylindoline |
| IUPAC Name | 1-phenyl-2,3-dihydro-1H-indol-2-one |
| InChI Key | OWPNVXATCSXTBK-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO |
2'-Bromo-4'-methylacetanilide 98.0+%, TCI America™
CAS: 614-83-5 Molecular Formula: C9H10BrNO Molecular Weight (g/mol): 228.089 MDL Number: MFCD00017781 InChI Key: UUDGTWKIIUEVJD-UHFFFAOYSA-N Synonym: n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide PubChem CID: 69200 IUPAC Name: N-(2-bromo-4-methylphenyl)acetamide SMILES: CC1=CC(=C(C=C1)NC(=O)C)Br
| PubChem CID | 69200 |
|---|---|
| CAS | 614-83-5 |
| Molecular Weight (g/mol) | 228.089 |
| MDL Number | MFCD00017781 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)C)Br |
| Synonym | n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide |
| IUPAC Name | N-(2-bromo-4-methylphenyl)acetamide |
| InChI Key | UUDGTWKIIUEVJD-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO |
2-Azidoethyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranoside 92.0+%, TCI America™
CAS: 140428-81-5 Molecular Formula: C16H23N3O10 Molecular Weight (g/mol): 417.371 InChI Key: DPAXDKFCBLGMIZ-WFDRTZIDSA-N PubChem CID: 53384426 IUPAC Name: [(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 53384426 |
|---|---|
| CAS | 140428-81-5 |
| Molecular Weight (g/mol) | 417.371 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate |
| InChI Key | DPAXDKFCBLGMIZ-WFDRTZIDSA-N |
| Molecular Formula | C16H23N3O10 |
N,N-Dimethylformamide Dibutyl Acetal 98.0+%, TCI America™
CAS: 18503-90-7 Molecular Formula: C11H25NO2 Molecular Weight (g/mol): 203.33 MDL Number: MFCD00015249 InChI Key: GSFFXKGTGPMVLM-UHFFFAOYSA-N Synonym: 1,1-Dibutoxytrimethylamine PubChem CID: 87683 IUPAC Name: (dibutoxymethyl)dimethylamine SMILES: CCCCOC(OCCCC)N(C)C
| PubChem CID | 87683 |
|---|---|
| CAS | 18503-90-7 |
| Molecular Weight (g/mol) | 203.33 |
| MDL Number | MFCD00015249 |
| SMILES | CCCCOC(OCCCC)N(C)C |
| Synonym | 1,1-Dibutoxytrimethylamine |
| IUPAC Name | (dibutoxymethyl)dimethylamine |
| InChI Key | GSFFXKGTGPMVLM-UHFFFAOYSA-N |
| Molecular Formula | C11H25NO2 |
1-(1,2,3,6-Tetrahydro-4-pyridyl)-2-benzimidazolinone 97.0+%, TCI America™
CAS: 2147-83-3 Molecular Formula: C12H14N3O Molecular Weight (g/mol): 216.26 MDL Number: MFCD00044827 InChI Key: YFEOSTXFQCDCAR-UHFFFAOYSA-O Synonym: 1,3-dihydro-1-1,2,3,6-tetrahydro-4-pyridinyl-2h-benzimidazole-2-one,1,3-dihydro-1-1,2,3,6-tetrahydro-4-pyridinyl-2h-benzimidazol-2-one,3-1,2,3,6-tetrahydropyridin-4-yl-1h-benzimidazol-2-one,1-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone,1-1,2,3,6-tetrahydropyridin-4-yl-1,3-dihydro-2h-benzimidazol-2-one,1-1,2,3,6-tetrahydropyridin-4-yl-2,3-dihydro-1h-1,3-benzodiazol-2-one,1-4-1,2,5,6-tetrahydropyridyl-3-hydrobenzimidazol-2-one,1-1,2,3,6-tetrahydropyridin-4-yl-3h-1,3-benzodiazol-2-one,benzoimidazol-2-one,1-1,2,3,6-tetrahydro-pyridin-4-yl-1,3-dihydro PubChem CID: 75070 IUPAC Name: 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-ium SMILES: O=C1NC2=CC=CC=C2N1C1=CC[NH2+]CC1
| PubChem CID | 75070 |
|---|---|
| CAS | 2147-83-3 |
| Molecular Weight (g/mol) | 216.26 |
| MDL Number | MFCD00044827 |
| SMILES | O=C1NC2=CC=CC=C2N1C1=CC[NH2+]CC1 |
| Synonym | 1,3-dihydro-1-1,2,3,6-tetrahydro-4-pyridinyl-2h-benzimidazole-2-one,1,3-dihydro-1-1,2,3,6-tetrahydro-4-pyridinyl-2h-benzimidazol-2-one,3-1,2,3,6-tetrahydropyridin-4-yl-1h-benzimidazol-2-one,1-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone,1-1,2,3,6-tetrahydropyridin-4-yl-1,3-dihydro-2h-benzimidazol-2-one,1-1,2,3,6-tetrahydropyridin-4-yl-2,3-dihydro-1h-1,3-benzodiazol-2-one,1-4-1,2,5,6-tetrahydropyridyl-3-hydrobenzimidazol-2-one,1-1,2,3,6-tetrahydropyridin-4-yl-3h-1,3-benzodiazol-2-one,benzoimidazol-2-one,1-1,2,3,6-tetrahydro-pyridin-4-yl-1,3-dihydro |
| IUPAC Name | 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-ium |
| InChI Key | YFEOSTXFQCDCAR-UHFFFAOYSA-O |
| Molecular Formula | C12H14N3O |
1,3-Bis(tosyloxy)propane 98.0+%, TCI America™
CAS: 5469-66-9 Molecular Formula: C17H20O6S2 Molecular Weight (g/mol): 384.46 MDL Number: MFCD00013392 InChI Key: ODVREDGIWSDQFD-UHFFFAOYSA-N Synonym: 1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate PubChem CID: 230370 IUPAC Name: 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1
| PubChem CID | 230370 |
|---|---|
| CAS | 5469-66-9 |
| Molecular Weight (g/mol) | 384.46 |
| MDL Number | MFCD00013392 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1 |
| Synonym | 1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate |
| IUPAC Name | 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate |
| InChI Key | ODVREDGIWSDQFD-UHFFFAOYSA-N |
| Molecular Formula | C17H20O6S2 |
Ethyl 2-Bromobutyrate 98.0+%, TCI America™
CAS: 533-68-6 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000155 InChI Key: XIMFCGSNSKXPBO-UHFFFAOYNA-N Synonym: ethyl 2-bromobutyrate,dl-ethyl 2-bromobutyrate,2-bromobutanoic acid ethyl ester,butanoic acid, 2-bromo-, ethyl ester,2-bromobutyric acid ethyl ester,ethyl .alpha.-bromobutyrate,2-bromo-butyric acid ethyl ester,butyric acid, 2-bromo-, ethyl ester,2-bromo-butanoicaciethylester,ethyl alpha-bromobutyrate PubChem CID: 79039 IUPAC Name: ethyl 2-bromobutanoate SMILES: CCOC(=O)C(Br)CC
| PubChem CID | 79039 |
|---|---|
| CAS | 533-68-6 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00000155 |
| SMILES | CCOC(=O)C(Br)CC |
| Synonym | ethyl 2-bromobutyrate,dl-ethyl 2-bromobutyrate,2-bromobutanoic acid ethyl ester,butanoic acid, 2-bromo-, ethyl ester,2-bromobutyric acid ethyl ester,ethyl .alpha.-bromobutyrate,2-bromo-butyric acid ethyl ester,butyric acid, 2-bromo-, ethyl ester,2-bromo-butanoicaciethylester,ethyl alpha-bromobutyrate |
| IUPAC Name | ethyl 2-bromobutanoate |
| InChI Key | XIMFCGSNSKXPBO-UHFFFAOYNA-N |
| Molecular Formula | C6H11BrO2 |
3-(4-Bromophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
(R)-2-Hydroxy-4-phenylbutyric Acid 98.0+%, TCI America™
CAS: 29678-81-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00192219 InChI Key: JNJCEALGCZSIGB-SECBINFHSA-N PubChem CID: 2759328 IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(C(=O)O)O
| PubChem CID | 2759328 |
|---|---|
| CAS | 29678-81-7 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00192219 |
| SMILES | C1=CC=C(C=C1)CCC(C(=O)O)O |
| IUPAC Name | (2R)-2-hydroxy-4-phenylbutanoic acid |
| InChI Key | JNJCEALGCZSIGB-SECBINFHSA-N |
| Molecular Formula | C10H12O3 |
Benzyl Butyrate 97.0+%, TCI America™
CAS: 103-37-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00027133 InChI Key: VONGZNXBKCOUHB-UHFFFAOYSA-N Synonym: benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural PubChem CID: 7650 IUPAC Name: benzyl butanoate SMILES: CCCC(=O)OCC1=CC=CC=C1
| PubChem CID | 7650 |
|---|---|
| CAS | 103-37-7 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00027133 |
| SMILES | CCCC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural |
| IUPAC Name | benzyl butanoate |
| InChI Key | VONGZNXBKCOUHB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
2-Cyanophenylboronic Acid 1,3-Propanediol Ester 97.0+%, TCI America™
CAS: 172732-52-4 Molecular Formula: C10H10BNO2 Molecular Weight (g/mol): 187.005 MDL Number: MFCD04039012 InChI Key: REQZFVYFYAZUMG-UHFFFAOYSA-N Synonym: 2-1,3,2-dioxaborinan-2-yl benzonitrile,2-cyanophenylboronic acid 1,3-propanediol ester,2-2-cyanophenyl-1,3,2-dioxaborinane,2-cyanobenzeneboronic acid 1,3-propanediol ester,2-cyanophenylboronic acid propanediol ester,2-cyanophenylboronic acid, 1,3-propanediol cyclic ester,2-1,3,2-dioxaborinane-2-yl benzonitrile,2-1,3,2-dioxaborinan-2-yl-benzonitrile,benzonitrile, 2-1,3,2-dioxaborinan-2-yl,2-cyanophenylboronic acid,1,3-propanediol PubChem CID: 3529602 IUPAC Name: 2-(1,3,2-dioxaborinan-2-yl)benzonitrile SMILES: B1(OCCCO1)C2=CC=CC=C2C#N
| PubChem CID | 3529602 |
|---|---|
| CAS | 172732-52-4 |
| Molecular Weight (g/mol) | 187.005 |
| MDL Number | MFCD04039012 |
| SMILES | B1(OCCCO1)C2=CC=CC=C2C#N |
| Synonym | 2-1,3,2-dioxaborinan-2-yl benzonitrile,2-cyanophenylboronic acid 1,3-propanediol ester,2-2-cyanophenyl-1,3,2-dioxaborinane,2-cyanobenzeneboronic acid 1,3-propanediol ester,2-cyanophenylboronic acid propanediol ester,2-cyanophenylboronic acid, 1,3-propanediol cyclic ester,2-1,3,2-dioxaborinane-2-yl benzonitrile,2-1,3,2-dioxaborinan-2-yl-benzonitrile,benzonitrile, 2-1,3,2-dioxaborinan-2-yl,2-cyanophenylboronic acid,1,3-propanediol |
| IUPAC Name | 2-(1,3,2-dioxaborinan-2-yl)benzonitrile |
| InChI Key | REQZFVYFYAZUMG-UHFFFAOYSA-N |
| Molecular Formula | C10H10BNO2 |
N-Allylphthalimide 98.0+%, TCI America™
CAS: 5428-09-1 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD00158662 InChI Key: MHHGQWMCVNQHLG-UHFFFAOYSA-N Synonym: 2-allylisoindoline-1,3-dione,n-allylphthalimide,n-2-propenyl phthalimide,2-allyl-1h-isoindole-1,3 2h-dione,2-prop-2-en-1-yl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 2-2-propen-1-yl,2-prop-2-en-1-yl-2,3-dihydro-1h-isoindole-1,3-dione,n-allylphthalimid,n-allyl-phthalimide,2-allylisoindole-1,3-dione PubChem CID: 224401 IUPAC Name: 2-prop-2-enylisoindole-1,3-dione SMILES: C=CCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 224401 |
|---|---|
| CAS | 5428-09-1 |
| Molecular Weight (g/mol) | 187.20 |
| MDL Number | MFCD00158662 |
| SMILES | C=CCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 2-allylisoindoline-1,3-dione,n-allylphthalimide,n-2-propenyl phthalimide,2-allyl-1h-isoindole-1,3 2h-dione,2-prop-2-en-1-yl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 2-2-propen-1-yl,2-prop-2-en-1-yl-2,3-dihydro-1h-isoindole-1,3-dione,n-allylphthalimid,n-allyl-phthalimide,2-allylisoindole-1,3-dione |
| IUPAC Name | 2-prop-2-enylisoindole-1,3-dione |
| InChI Key | MHHGQWMCVNQHLG-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
Capecitabine 98.0+%, TCI America™
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.354 MDL Number: MFCD00930626 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N Synonym: capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin PubChem CID: 60953 ChEBI: CHEBI:31348 IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
| PubChem CID | 60953 |
|---|---|
| CAS | 154361-50-9 |
| Molecular Weight (g/mol) | 359.354 |
| ChEBI | CHEBI:31348 |
| MDL Number | MFCD00930626 |
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| Synonym | capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
3-(4-Chlorobenzal)phthalide 98.0+%, TCI America™
CAS: 20526-97-0 Molecular Formula: C15H9ClO2 Molecular Weight (g/mol): 256.69 MDL Number: MFCD02683417,MFCD02683417 InChI Key: OHRFHJYUEWVXBD-ZROIWOOFSA-N Synonym: 3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one PubChem CID: 10467624 IUPAC Name: (3Z)-3-[(4-chlorophenyl)methylidene]-1,3-dihydro-2-benzofuran-1-one SMILES: ClC1=CC=C(\C=C2/OC(=O)C3=CC=CC=C23)C=C1
| PubChem CID | 10467624 |
|---|---|
| CAS | 20526-97-0 |
| Molecular Weight (g/mol) | 256.69 |
| MDL Number | MFCD02683417,MFCD02683417 |
| SMILES | ClC1=CC=C(\C=C2/OC(=O)C3=CC=CC=C23)C=C1 |
| Synonym | 3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one |
| IUPAC Name | (3Z)-3-[(4-chlorophenyl)methylidene]-1,3-dihydro-2-benzofuran-1-one |
| InChI Key | OHRFHJYUEWVXBD-ZROIWOOFSA-N |
| Molecular Formula | C15H9ClO2 |