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10177-08-9 | 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-phenyl-
CAS No: 10177-08-9 Catalog No: AG0005G8 MDL No:MFCD00835053
Product Description
Catalog Number:
AG0005G8
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-phenyl-
CAS Number:
10177-08-9
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD00835053
IUPAC Name:
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c14-11-10(12(15)16)6-9(7-13-11)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)
InChI Key:
SIHMMTANWQXEHE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c[nH]c1=O)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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