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13223-26-2 | 2(1H)-Pyrimidinone, 4,6-dimethoxy-
CAS No: 13223-26-2 Catalog No: AG0010FE MDL No:
Product Description
Catalog Number:
AG0010FE
Chemical Name:
2(1H)-Pyrimidinone, 4,6-dimethoxy-
CAS Number:
13223-26-2
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
4,6-dimethoxy-1H-pyrimidin-2-one
InChI:
InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
InChI Key:
OVHHLJFHCUVHRI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)[nH]c(=O)n1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Transformation of (14)C-pyrimidynyloxybenzoic herbicide ZJ0273 in aerobic soils. | The Science of the total environment 20100415 |
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