Cas no 355008-55-8 (3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester)
355008-55-8 structure
Product Name:3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester
CAS No:355008-55-8
MF:C14H13NO2
MW:227.258523702621
CID:2186330
PubChem ID:71774017
Update Time:2025-04-21
3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester
- Methyl 3-(2-methylphenyl)isonicotinate
- 355008-55-8
- SCHEMBL21056662
- 3-(2-methylphenyl)-4-pyridinecarboxylic acid methyl ester
- DB-261622
-
- Inchi： 1S/C14H13NO2/c1-10-5-3-4-6-11(10)13-9-15-8-7-12(13)14(16)17-2/h3-9H,1-2H3
- InChI Key： YCEXHYXJCGNDGL-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CN=CC=1C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 227.094628657g/mol
- Monoisotopic Mass: 227.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 267
- 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: 2.7
- Topological Polar Surface Area: 39.2?2
3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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