Cas no 95080-14-1 (2(1H)-Pyridinone, dihydrate)
2(1H)-Pyridinone, dihydrate structure
Product Name:2(1H)-Pyridinone, dihydrate
CAS No:95080-14-1
MF:C5H9NO3
MW:131.129861593246
CID:752005
PubChem ID:71330698
Update Time:2025-04-19
2(1H)-Pyridinone, dihydrate Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, dihydrate
- 1H-pyridin-2-one,dihydrate
- 95080-14-1
- DTXSID40759363
- Pyridin-2(1H)-one--water (1/2)
-
- Inchi： 1S/C5H5NO.2H2O/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);2*1H2
- InChI Key： YULXIXKYGAPJDJ-UHFFFAOYSA-N
- SMILES： O=C1C=CC=CN1.O.O
Computed Properties
- Exact Mass: 131.058243149g/mol
- Monoisotopic Mass: 131.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 135
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 31.1?2
2(1H)-Pyridinone, dihydrate Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
95080-14-1 (2(1H)-Pyridinone, dihydrate) Related Products
- 694-85-9(1-Methyl-2-pyridone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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