Cas no 1262659-62-0 (Methyl 5-methyl-2-(pyridin-2-yl)benzoate)
1262659-62-0 structure
Product Name:Methyl 5-methyl-2-(pyridin-2-yl)benzoate
CAS No:1262659-62-0
MF:C14H13NO2
MW:227.258523702621
CID:2154301
Update Time:2023-08-05
Methyl 5-methyl-2-(pyridin-2-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-methyl-2-(pyridin-2-yl)benzoate
- BLRXAUIFASROEJ-UHFFFAOYSA-N
- 5-Methyl-2-(2-pyridyl)benzoic acid methyl ester
- Methyl 5-methyl-2-(pyridin-2-yl)benzoate
-
- Inchi： 1S/C14H13NO2/c1-10-6-7-11(12(9-10)14(16)17-2)13-5-3-4-8-15-13/h3-9H,1-2H3
- InChI Key： BLRXAUIFASROEJ-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C)C=CC=1C1C=CC=CN=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 267
- Topological Polar Surface Area: 39.2
Methyl 5-methyl-2-(pyridin-2-yl)benzoate Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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