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122773-97-1 | 5-Pyrimidinecarboxylic acid, 2-phenyl-
CAS No: 122773-97-1 Catalog No: AG000JG6 MDL No:MFCD00559612
Product Description
Catalog Number:
AG000JG6
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-phenyl-
CAS Number:
122773-97-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD00559612
IUPAC Name:
2-phenylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChI Key:
BOAIYSRFGWBZCF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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