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77837-08-2 | 6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CAS No: 77837-08-2 Catalog No: AG005EUX MDL No:MFCD07369218
Product Description
Catalog Number:
AG005EUX
Chemical Name:
6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CAS Number:
77837-08-2
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD07369218
IUPAC Name:
6-oxo-1-phenylpyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChI Key:
PETUTZMMIOWORO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(c1)c1ccccc1
UNII:
260RWO9IY8
Properties
Complexity:
365
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:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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