Cas no 62786-72-5 (1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester)
62786-72-5 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester
CAS No:62786-72-5
MF:C13H13NO2
MW:215.247823476791
CID:431314
PubChem ID:11806083
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester
- DTXSID70473146
- benzyl 4-methyl-1H-pyrrole-2-carboxylate
- InChI=1/C13H13NO2/c1-10-7-12(14-8-10)13(15)16-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H
- 4-methyl-1H-pyrrole-2-carboxylic acid benzyl ester
- 62786-72-5
-
- Inchi： 1S/C13H13NO2/c1-10-7-12(14-8-10)13(15)16-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3
- InChI Key： UBGVXSDZCGLHEG-UHFFFAOYSA-N
- SMILES： O(C(C1=CC(C)=CN1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 215.09469
- Monoisotopic Mass: 215.094628657g/mol
- 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: 2.8
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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