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88070-38-6 | 5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide
CAS No: 88070-38-6 Catalog No: AG004EU6 MDL No:
Product Description
Catalog Number:
AG004EU6
Chemical Name:
5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide
CAS Number:
88070-38-6
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
2,4,6-trimethyl-1-oxidopyrimidin-1-ium-5-ol
InChI:
InChI=1S/C7H10N2O2/c1-4-7(10)5(2)9(11)6(3)8-4/h10H,1-3H3
InChI Key:
MVMWMZGJVHVCEU-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c([n+]1[O-])C)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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