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86421-66-1 | 4(3H)-Pyrimidinone, 2,3-dimethyl-6-phenyl-
CAS No: 86421-66-1 Catalog No: AG004XAX MDL No:
Product Description
Catalog Number:
AG004XAX
Chemical Name:
4(3H)-Pyrimidinone, 2,3-dimethyl-6-phenyl-
CAS Number:
86421-66-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
2,3-dimethyl-6-phenylpyrimidin-4-one
InChI:
InChI=1S/C12H12N2O/c1-9-13-11(8-12(15)14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
KKMOLRJQCZVPRZ-UHFFFAOYSA-N
SMILES:
Cc1nc(cc(=O)n1C)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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