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88070-44-4 | 5-Pyrimidinol, 1-oxide
CAS No: 88070-44-4 Catalog No: AG004HWK MDL No:MFCD13183719
Product Description
Catalog Number:
AG004HWK
Chemical Name:
5-Pyrimidinol, 1-oxide
CAS Number:
88070-44-4
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD13183719
IUPAC Name:
1-oxidopyrimidin-1-ium-5-ol
InChI:
InChI=1S/C4H4N2O2/c7-4-1-5-3-6(8)2-4/h1-3,7H
InChI Key:
UQGFEGTXGVKLNU-UHFFFAOYSA-N
SMILES:
[O-][n+]1cncc(c1)O
Properties
Complexity:
78.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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