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126005-20-7 | 3-Pyridinecarboxylic acid, 6-methyl-2-phenyl-, ethyl ester
CAS No: 126005-20-7 Catalog No: AG000QQX MDL No:
Product Description
Catalog Number:
AG000QQX
Chemical Name:
3-Pyridinecarboxylic acid, 6-methyl-2-phenyl-, ethyl ester
CAS Number:
126005-20-7
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
ethyl 6-methyl-2-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C15H15NO2/c1-3-18-15(17)13-10-9-11(2)16-14(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChI Key:
VIVYUASSKZZJRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1c1ccccc1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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