Cas no 89909-40-0 (1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester)
89909-40-0 structure
Product Name:1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester
CAS No:89909-40-0
MF:C13H13NO2
MW:215.247823476791
CID:585450
PubChem ID:53710062
Update Time:2025-04-19
1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester
- benzyl 4-methyl-1H-pyrrole-3-carboxylate
- 89909-40-0
- DTXSID20706113
- SCHEMBL4528251
-
- Inchi： 1S/C13H13NO2/c1-10-7-14-8-12(10)13(15)16-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3
- InChI Key： BZWSVDVWQNBWFB-UHFFFAOYSA-N
- SMILES： O(C(C1=CNC=C1C)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 215.095
- Monoisotopic Mass: 215.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 42.1?2
1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
89909-40-0 (1H-Pyrrole-3-carboxylic acid, 4-methyl-, phenylmethyl ester) Related Products
- 64276-62-6(Ethyl 4-phenyl-1H-pyrrole-3-carboxylate)
- 58997-11-8(Ethyl 3-methylisonicotinate)
- 4664-08-8(3,4-Pyridinedicarboxylic anhydride)
- 1678-52-0(3,4-diethyl pyridine-3,4-dicarboxylate)
- 1796-83-4(3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride)
- 33402-75-4(Methyl 4-methylnicotinate)
- 24202-79-7(3-(methoxycarbonyl)pyridine-4-carboxylic acid)
- 1211579-85-9(Methyl 4-formylpyridine-3-carboxylate)
- 55314-29-9(ethyl 4-methylpyridine-3-carboxylate)
- 2199-49-7(Ethyl 4-methyl-1h-pyrrole-3-carboxylate)
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