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Home > Pyridines > 648898-11-7
648898-11-7 | 4-(4-Cyanopyridin-2-yl)benzoic acid
CAS No: 648898-11-7 Catalog No: AG00EIGH MDL No:
Product Description
Catalog Number:
AG00EIGH
Chemical Name:
4-(4-Cyanopyridin-2-yl)benzoic acid
CAS Number:
648898-11-7
IUPAC Name:
4-(5-cyanopyridin-2-yl)benzoic acid
InChI:
InChI=1S/C13H8N2O2/c14-7-9-1-6-12(15-8-9)10-2-4-11(5-3-10)13(16)17/h1-6,8H,(H,16,17)
InChI Key:
VDWDAPHWBRJBMV-UHFFFAOYSA-N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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