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100959-93-1 | 4(3H)-Pyrimidinone, 6-(hydroxymethyl)-
CAS No: 100959-93-1 Catalog No: AG0003BQ MDL No:
Product Description
Catalog Number:
AG0003BQ
Chemical Name:
4(3H)-Pyrimidinone, 6-(hydroxymethyl)-
CAS Number:
100959-93-1
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
IUPAC Name:
4-(hydroxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2O2/c8-2-4-1-5(9)7-3-6-4/h1,3,8H,2H2,(H,6,7,9)
InChI Key:
OCJCOGBIYNZFMP-UHFFFAOYSA-N
SMILES:
OCc1cc(=O)[nH]cn1
Properties
Complexity:
183
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:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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