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10176-84-8 | 3-Pyridinecarboxylic acid, 6-methyl-5-phenyl-, methyl ester
CAS No: 10176-84-8 Catalog No: AG0005FH MDL No:
Product Description
Catalog Number:
AG0005FH
Chemical Name:
3-Pyridinecarboxylic acid, 6-methyl-5-phenyl-, methyl ester
CAS Number:
10176-84-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
methyl 6-methyl-5-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C14H13NO2/c1-10-13(11-6-4-3-5-7-11)8-12(9-15-10)14(16)17-2/h3-9H,1-2H3
InChI Key:
WEYWHUYCUMOXNY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)c1ccccc1)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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