Cas no 828939-96-4 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate)
828939-96-4 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate
CAS No:828939-96-4
MF:C4H6N2O6
MW:178.100241184235
CID:680068
PubChem ID:71416700
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate Chemical and Physical Properties
Names and Identifiers
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- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate
- 5,5-dihydroxy-1,3-diazinane-2,4,6-trione,hydrate
- DTXSID60836069
- 5,5-dihydroxybarbituric acid monohydrate
- 828939-96-4
- 5,5-Dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione--water (1/1)
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- Inchi： 1S/C4H4N2O5.H2O/c7-1-4(10,11)2(8)6-3(9)5-1;/h10-11H,(H2,5,6,7,8,9);1H2
- InChI Key： QHOWICOSTGOXLY-UHFFFAOYSA-N
- SMILES： OC1(C(NC(NC1=O)=O)=O)O.O
Computed Properties
- Exact Mass: 178.02258592g/mol
- Monoisotopic Mass: 178.02258592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 223
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 117?2
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate 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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
828939-96-4 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, monohydrate) Related Products
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