Cas no 594836-56-3 (4-Pyrimidinecarbonitrile, 2-ethenyl-)
594836-56-3 structure
Product Name:4-Pyrimidinecarbonitrile, 2-ethenyl-
CAS No:594836-56-3
MF:C7H5N3
MW:131.134700536728
CID:877762
Update Time:2026-04-29
4-Pyrimidinecarbonitrile, 2-ethenyl- Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarbonitrile, 2-ethenyl- (9CI)
- 4-Pyrimidinecarbonitrile, 2-ethenyl-
-
- Inchi: 1S/C7H5N3/c1-2-7-9-4-3-6(5-8)10-7/h2-4H,1H2
- InChI Key: KRZWLANEGJCLQN-UHFFFAOYSA-N
- SMILES: N1=C(C#N)C([H])=C([H])N=C1C([H])=C([H])[H]
Computed Properties
- Exact Mass: 131.048
- Monoisotopic Mass: 131.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 1.1
- Topological Polar Surface Area: 49.6
4-Pyrimidinecarbonitrile, 2-ethenyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
594836-56-3 (4-Pyrimidinecarbonitrile, 2-ethenyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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