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10177-12-5 | 3-Pyridinecarboxylic acid, 5-phenyl-
CAS No: 10177-12-5 Catalog No: AG0005G5 MDL No:MFCD03086176
Product Description
Catalog Number:
AG0005G5
Chemical Name:
3-Pyridinecarboxylic acid, 5-phenyl-
CAS Number:
10177-12-5
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD03086176
IUPAC Name:
5-phenylpyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key:
VKFXHYRIHRTEIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ccccc1
NSC Number:
404257
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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