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206127-25-5 | 2-Pyridinecarboxylic acid, 6-phenyl-, methyl ester
CAS No: 206127-25-5 Catalog No: AG002AJ8 MDL No:
Product Description
Catalog Number:
AG002AJ8
Chemical Name:
2-Pyridinecarboxylic acid, 6-phenyl-, methyl ester
CAS Number:
206127-25-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
methyl 6-phenylpyridine-2-carboxylate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)12-9-5-8-11(14-12)10-6-3-2-4-7-10/h2-9H,1H3
InChI Key:
SCLJKMDPGCDUNH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)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:
2.7
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