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29051-44-3 | 3-Pyridinecarboxylic acid, 6-phenyl-
CAS No: 29051-44-3 Catalog No: AG002X75 MDL No:MFCD03086128
Product Description
Catalog Number:
AG002X75
Chemical Name:
3-Pyridinecarboxylic acid, 6-phenyl-
CAS Number:
29051-44-3
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD03086128
IUPAC Name:
6-phenylpyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key:
DLFLQXUYRFIFOK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)c1ccccc1
EC Number:
249-386-4
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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