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1246651-95-5 | 3-Pyridinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-1-phenyl-, ethyl ester
CAS No: 1246651-95-5 Catalog No: AG000MKK MDL No:
Product Description
Catalog Number:
AG000MKK
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-1-phenyl-, ethyl ester
CAS Number:
1246651-95-5
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
ethyl 2-methyl-6-oxo-1-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C15H15NO3/c1-3-19-15(18)13-9-10-14(17)16(11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChI Key:
VOFIQHUZAFDVCD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(=O)n(c1C)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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