Cas no 156973-21-6 (2(1H)-Pyrimidinone,5-ethenyl-)
2(1H)-Pyrimidinone,5-ethenyl- structure
Product Name:2(1H)-Pyrimidinone,5-ethenyl-
CAS No:156973-21-6
MF:C6H6N2O
MW:122.12464094162
CID:107650
PubChem ID:45080150
Update Time:2025-04-18
2(1H)-Pyrimidinone,5-ethenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone,5-ethenyl-
- 2(1H)-Pyrimidinone, 5-ethenyl- (9CI)
- 156973-21-6
- 2(1H)-Pyrimidinone,5-ethenyl-(9ci)
-
- Inchi： 1S/C6H6N2O/c1-2-5-3-7-6(9)8-4-5/h2-4H,1H2,(H,7,8,9)
- InChI Key： QDGYQGKEPABCFB-UHFFFAOYSA-N
- SMILES： O=C1N=CC(C=C)=CN1
Computed Properties
- Exact Mass: 122.04808
- Monoisotopic Mass: 122.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 203
- 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
- Topological Polar Surface Area: 41.5A^2
- XLogP3: 0.1
Experimental Properties
- PSA: 41.46
2(1H)-Pyrimidinone,5-ethenyl- Related Literature
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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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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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