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88070-46-6 | 5-Pyrimidinol, 4,6-dimethyl-2-phenyl-, 1-oxide
CAS No: 88070-46-6 Catalog No: AG004KKW MDL No:
Product Description
Catalog Number:
AG004KKW
Chemical Name:
5-Pyrimidinol, 4,6-dimethyl-2-phenyl-, 1-oxide
CAS Number:
88070-46-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
4,6-dimethyl-1-oxido-2-phenylpyrimidin-1-ium-5-ol
InChI:
InChI=1S/C12H12N2O2/c1-8-11(15)9(2)14(16)12(13-8)10-6-4-3-5-7-10/h3-7,15H,1-2H3
InChI Key:
SSGSIXVKEAPJLI-UHFFFAOYSA-N
SMILES:
Cc1nc(c2ccccc2)[n+](c(c1O)C)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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