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306297-93-8 | 5-Pyrimidinecarboxylic acid, 4,6-dimethyl-2-phenyl-
CAS No: 306297-93-8 Catalog No: AG0030P8 MDL No:
Product Description
Catalog Number:
AG0030P8
Chemical Name:
5-Pyrimidinecarboxylic acid, 4,6-dimethyl-2-phenyl-
CAS Number:
306297-93-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4,6-dimethyl-2-phenylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c1-8-11(13(16)17)9(2)15-12(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17)
InChI Key:
XDACGVOBMUKSSL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nc(nc1C)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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