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1194-22-5 | 4(1H)-Pyrimidinone, 6-hydroxy-2-methyl-
CAS No: 1194-22-5 Catalog No: AG000IOT MDL No:MFCD00006104
Product Description
Catalog Number:
AG000IOT
Chemical Name:
4(1H)-Pyrimidinone, 6-hydroxy-2-methyl-
CAS Number:
1194-22-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00006104
IUPAC Name:
4-hydroxy-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H,1H3,(H2,6,7,8,9)
InChI Key:
BPSGVKFIQZZFNH-UHFFFAOYSA-N
SMILES:
O=c1cc(O)[nH]c(n1)C
NSC Number:
9317
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| Synthesis and properties of acetamidinium salts. | Chemistry Central journal 20110101 |
| Synthesis, characterization and thermolysis of 1,1-diamino-2,2-dinitroethylene (FOX-7) and its salts. | Journal of hazardous materials 20060921 |
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