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897016-91-0

897016-91-0 | 2-Pyridineacetic acid, 5-phenyl-, ethyl ester

CAS No: 897016-91-0 Catalog No: AG0044AF MDL No:

Product Description

Catalog Number:
AG0044AF
Chemical Name:
2-Pyridineacetic acid, 5-phenyl-, ethyl ester
CAS Number:
897016-91-0
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
ethyl 2-(5-phenylpyridin-2-yl)acetate
InChI:
InChI=1S/C15H15NO2/c1-2-18-15(17)10-14-9-8-13(11-16-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChI Key:
CDOBKVDHIJWVAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cn1)c1ccccc1

Properties

Complexity:
261  
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:
5  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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