Cas no 3156-53-4 (Pyridine,3-(2-nitro-1-propen-1-yl)-)
3156-53-4 structure
Product Name:Pyridine,3-(2-nitro-1-propen-1-yl)-
CAS No:3156-53-4
MF:C8H8N2O2
MW:164.161321640015
CID:306913
PubChem ID:201057
Update Time:2025-04-19
Pyridine,3-(2-nitro-1-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,3-(2-nitro-1-propen-1-yl)-
- 3-[(Z)-2-nitroprop-1-enyl]pyridine
- DTXSID301300115
- 3156-53-4
- 3-(2-Nitro-1-propen-1-yl)pyridine
- AKOS017433736
-
- Inchi: 1S/C8H8N2O2/c1-7(10(11)12)5-8-3-2-4-9-6-8/h2-6H,1H3
- InChI Key: RUSUNWVZTBJUHM-UHFFFAOYSA-N
- SMILES: [O-][N+](C(C)=CC1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 164.05864
- Monoisotopic Mass: 164.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- PSA: 56.03
Pyridine,3-(2-nitro-1-propen-1-yl)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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