Cas no 922179-87-1 (4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)-)
922179-87-1 structure
Product Name:4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)-
CAS No:922179-87-1
MF:C6H6N2O2
MW:138.124041080475
CID:741584
Update Time:2023-08-03
4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)-
- 2-(2-Oxoethylidene)-1,2-dihydropyrimidine-4(3H)-one
- Acetaldehyde, 2-(3,4-dihydro-4-oxo-2(1H)-pyrimidinylidene)-, (2Z)-
-
- Inchi： 1S/C6H6N2O2/c9-4-2-5-7-3-1-6(10)8-5/h1-4,9H,(H,7,8,10)
- InChI Key： UOBBYYXUVVSIJT-UHFFFAOYSA-N
- SMILES： O=C1C=CN=C(C=CO)N1
Computed Properties
- Exact Mass: 138.043
- Monoisotopic Mass: 138.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 228
- 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: -0.5
- Topological Polar Surface Area: 61.7
Experimental Properties
- Color/Form: Fine gray white crystalline powder
4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)- Security Information
- Storage Condition：Store in cold storage.
4(3H)-Pyrimidinone, 2-(2-hydroxyethenyl)- Related Literature
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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