Cas no 862431-01-4 (1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 2-propenyl ester)
862431-01-4 structure
Product Name:1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 2-propenyl ester
CAS No:862431-01-4
MF:C9H13NO2
MW:167.205022573471
CID:1845170
PubChem ID:58919294
Update Time:2025-04-21
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 2-propenyl ester
- allyl 3,4-dihydropyridine-1(2H)-carboxylate
- SCHEMBL5634854
- 862431-01-4
- DB-296962
-
- Inchi： 1S/C9H13NO2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2,4,6H,1,3,5,7-8H2
- InChI Key： SRADIXHFGSYPGN-UHFFFAOYSA-N
- SMILES： O(CC=C)C(N1C=CCCC1)=O
Computed Properties
- Exact Mass: 167.094628657g/mol
- Monoisotopic Mass: 167.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 199
- 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: 29.5?2
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 2-propenyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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