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1333331-74-0 | 2-Pyridinecarboxylic acid, 1-[1,1'-biphenyl]-3-yl-1,4-dihydro-4-oxo-5-(phenylmethoxy)-
CAS No: 1333331-74-0 Catalog No: AG0014OT MDL No:
Product Description
Catalog Number:
AG0014OT
Chemical Name:
2-Pyridinecarboxylic acid, 1-[1,1'-biphenyl]-3-yl-1,4-dihydro-4-oxo-5-(phenylmethoxy)-
CAS Number:
1333331-74-0
Molecular Formula:
C25H19NO4
Molecular Weight:
397.4227
IUPAC Name:
4-oxo-5-phenylmethoxy-1-(3-phenylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C25H19NO4/c27-23-15-22(25(28)29)26(16-24(23)30-17-18-8-3-1-4-9-18)21-13-7-12-20(14-21)19-10-5-2-6-11-19/h1-16H,17H2,(H,28,29)
InChI Key:
XVFQBCUOQOKXPY-UHFFFAOYSA-N
SMILES:
O=c1cc(C(=O)O)n(cc1OCc1ccccc1)c1cccc(c1)c1ccccc1
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.43g/mol
Monoisotopic Mass:
397.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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