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127958-10-5 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-
CAS No: 127958-10-5 Catalog No: AG000XM3 MDL No:MFCD02682072
Product Description
Catalog Number:
AG000XM3
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-
CAS Number:
127958-10-5
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD02682072
IUPAC Name:
2-methyl-4-phenylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)
InChI Key:
XKJAQESOTNACHT-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)c1ccccc1)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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