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142220-67-5 | 4(3H)-Pyrimidinone, 6-(4-methoxyphenyl)-2-methyl-
CAS No: 142220-67-5 Catalog No: AG001I0L MDL No:
Product Description
Catalog Number:
AG001I0L
Chemical Name:
4(3H)-Pyrimidinone, 6-(4-methoxyphenyl)-2-methyl-
CAS Number:
142220-67-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
4-(4-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12N2O2/c1-8-13-11(7-12(15)14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)
InChI Key:
VJEUXVAGFJHCDN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(=O)[nH]c(n1)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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