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28926-93-4 | 4-Pyridineacetic acid, 2-phenyl-
CAS No: 28926-93-4 Catalog No: AG002X3J MDL No:
Product Description
Catalog Number:
AG002X3J
Chemical Name:
4-Pyridineacetic acid, 2-phenyl-
CAS Number:
28926-93-4
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-(2-phenylpyridin-4-yl)acetic acid
InChI:
InChI=1S/C13H11NO2/c15-13(16)9-10-6-7-14-12(8-10)11-4-2-1-3-5-11/h1-8H,9H2,(H,15,16)
InChI Key:
WRGFYPVBCRIIAM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccnc(c1)c1ccccc1
NSC Number:
42784
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:
1
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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