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88070-45-5 | 5-Pyrimidinol, 4-phenyl-, 1-oxide
CAS No: 88070-45-5 Catalog No: AG004KNS MDL No:
Product Description
Catalog Number:
AG004KNS
Chemical Name:
5-Pyrimidinol, 4-phenyl-, 1-oxide
CAS Number:
88070-45-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
1-oxido-4-phenylpyrimidin-1-ium-5-ol
InChI:
InChI=1S/C10H8N2O2/c13-9-6-12(14)7-11-10(9)8-4-2-1-3-5-8/h1-7,13H
InChI Key:
AKPVYPUCEJKEHG-UHFFFAOYSA-N
SMILES:
[O-][n+]1cnc(c(c1)O)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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