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Home > Pyridines > 775557-13-6
775557-13-6 | Benzoic acid, 2-methyl-4-(2-pyridinyl)- (9CI)
CAS No: 775557-13-6 Catalog No: AG00G6PE MDL No:
Product Description
Catalog Number:
AG00G6PE
Chemical Name:
Benzoic acid, 2-methyl-4-(2-pyridinyl)- (9CI)
CAS Number:
775557-13-6
IUPAC Name:
2-methyl-4-pyridin-2-ylbenzoic acid
InChI:
InChI=1S/C13H11NO2/c1-9-8-10(5-6-11(9)13(15)16)12-4-2-3-7-14-12/h2-8H,1H3,(H,15,16)
InChI Key:
KLUMXEDAFFJQTB-UHFFFAOYSA-N
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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