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10177-13-6 | 3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester
CAS No: 10177-13-6 Catalog No: AG0005G4 MDL No:MFCD06802742
Product Description
Catalog Number:
AG0005G4
Chemical Name:
3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester
CAS Number:
10177-13-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD06802742
IUPAC Name:
methyl 5-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
CJXJQNNSSJBPBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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