Cas no 457604-60-3 (3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl-)
457604-60-3 structure
Product Name:3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl-
CAS No:457604-60-3
MF:C12H16N2O2
MW:220.267642974854
CID:327915
PubChem ID:45093645
Update Time:2025-04-19
3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl-
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl- (9CI)
- 457604-60-3
- 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl-(9ci)
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- Inchi： 1S/C12H16N2O2/c1-3-5-9-7-11(15)14(6-4-2)12(16)10(9)8-13/h7,16H,3-6H2,1-2H3
- InChI Key： ORXCXDFUKPCZPN-UHFFFAOYSA-N
- SMILES： OC1=C(C#N)C(=CC(N1CCC)=O)CCC
Computed Properties
- Exact Mass: 220.121177757g/mol
- Monoisotopic Mass: 220.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 399
- 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
- Topological Polar Surface Area: 64.3?2
3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-1,4-dipropyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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