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89808-35-5 | 3-Pyridinecarboxylic acid, 6-phenyl-, 1-methylethyl ester
CAS No: 89808-35-5 Catalog No: AG003Y9N MDL No:
Product Description
Catalog Number:
AG003Y9N
Chemical Name:
3-Pyridinecarboxylic acid, 6-phenyl-, 1-methylethyl ester
CAS Number:
89808-35-5
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
propan-2-yl 6-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C15H15NO2/c1-11(2)18-15(17)13-8-9-14(16-10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
TVBUOJGAABSQOR-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(nc1)c1ccccc1)C
Properties
Complexity:
272
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:
3.2
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