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290300-98-0 | 4-Pyridinecarboxylic acid, 3-(2-methylphenyl)-
CAS No: 290300-98-0 Catalog No: AG002V97 MDL No:
Product Description
Catalog Number:
AG002V97
Chemical Name:
4-Pyridinecarboxylic acid, 3-(2-methylphenyl)-
CAS Number:
290300-98-0
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
3-(2-methylphenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO2/c1-9-4-2-3-5-10(9)12-8-14-7-6-11(12)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
KDCSJERZLIJPLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccncc1c1ccccc1C
Properties
Complexity:
254
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:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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