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18002-25-0 | 2(1H)-Pyrimidinone, 4-methoxy-
CAS No: 18002-25-0 Catalog No: AG0021MQ MDL No:
Product Description
Catalog Number:
AG0021MQ
Chemical Name:
2(1H)-Pyrimidinone, 4-methoxy-
CAS Number:
18002-25-0
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
IUPAC Name:
6-methoxy-1H-pyrimidin-2-one
InChI:
InChI=1S/C5H6N2O2/c1-9-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChI Key:
BLYYQDFZPGAAQM-UHFFFAOYSA-N
SMILES:
COc1cc[nH]c(=O)n1
NSC Number:
98681
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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