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Home > Pyridines > 791047-63-7
791047-63-7 | Benzoic acid, 2-methyl-4-(4-pyridinyl)- (9CI)
CAS No: 791047-63-7 Catalog No: AG00GC66 MDL No:
Product Description
Catalog Number:
AG00GC66
Chemical Name:
Benzoic acid, 2-methyl-4-(4-pyridinyl)- (9CI)
CAS Number:
791047-63-7
IUPAC Name:
2-methyl-4-pyridin-4-ylbenzoic acid
InChI:
InChI=1S/C13H11NO2/c1-9-8-11(2-3-12(9)13(15)16)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,16)
InChI Key:
CWNCMQWBMXTTSK-UHFFFAOYSA-N
Properties
Complexity:
248
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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