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897016-92-1 | 2-Pyridineacetic acid, 5-phenyl-
CAS No: 897016-92-1 Catalog No: AG0044AE MDL No:
Product Description
Catalog Number:
AG0044AE
Chemical Name:
2-Pyridineacetic acid, 5-phenyl-
CAS Number:
897016-92-1
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-(5-phenylpyridin-2-yl)acetic acid
InChI:
InChI=1S/C13H11NO2/c15-13(16)8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChI Key:
GJUCYUUYZYZDBM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cn1)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:
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
Literature
| Title | Journal |
|---|---|
| Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. | Journal of medicinal chemistry 20110714 |
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