Cas no 54629-90-2 (Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide)
54629-90-2 structure
Product Name:Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide
CAS No:54629-90-2
MF:C13H10N2O3
MW:242.2301030159
CID:368694
PubChem ID:6084894
Update Time:2025-04-19
Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide
- 4-nitro-1-oxido-3-(2-phenylethenyl)pyridin-1-ium
- 4-nitro-1-oxido-3-(2-phenylethenyl)pyridine
- NSC-52461
- 54629-90-2
- SCHEMBL14292150
- NSC52461
-
- Inchi: 1S/C13H10N2O3/c16-14-9-8-13(15(17)18)12(10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
- InChI Key: ZWJLRFXTAQXYCQ-VOTSOKGWSA-N
- SMILES: [O-][N+]1C=CC(=C(C=1)/C=C/C1C=CC=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 242.0692
- Monoisotopic Mass: 242.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 308
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- PSA: 70.08
Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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