Cas no 62455-71-4 (Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]-)
![Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]- structure](https://ossimg.kuujia.com/scimg/62500/62455-71-4x500.png)
62455-71-4 structure
Product Name:Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]-
CAS No:62455-71-4
MF:C13H10N2O
MW:210.23130273819
CID:444268
PubChem ID:12316972
Update Time:2025-04-19
Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]-
- 3-[(2-oxopyridin-1-yl)methyl]benzonitrile
- FT-0738483
- DTXSID90487780
- Z295205172
- 62455-71-4
- AKOS000189048
-
- Inchi： 1S/C13H10N2O/c14-9-11-4-3-5-12(8-11)10-15-7-2-1-6-13(15)16/h1-8H,10H2
- InChI Key： ADTFNZKIEHMPOZ-UHFFFAOYSA-N
- SMILES： O=C1C=CC=CN1CC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 210.0794
- Monoisotopic Mass: 210.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 375
- 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: 1.6
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
Benzonitrile, 3-[(2-oxo-1(2H)-pyridinyl)methyl]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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