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Home > Pyridines > 1423027-85-3
1423027-85-3 | 2-methyl-3-(pyridin-2-yl)benzoic acid
CAS No: 1423027-85-3 Catalog No: AG01A2LD MDL No:MFCD21252595
Product Description
Catalog Number:
AG01A2LD
Chemical Name:
2-methyl-3-(pyridin-2-yl)benzoic acid
CAS Number:
1423027-85-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD21252595
IUPAC Name:
2-methyl-3-pyridin-2-ylbenzoic acid
InChI:
InChI=1S/C13H11NO2/c1-9-10(12-7-2-3-8-14-12)5-4-6-11(9)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
JMXMNHHISPYCJY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)c1ccccn1
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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