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13569-97-6 | 4-(1H-Imidazol-4-yl);benzoic acid
CAS No: 13569-97-6 Catalog No: AG0072JC MDL No:MFCD08056298
Product Description
Catalog Number:
AG0072JC
Chemical Name:
4-(1H-Imidazol-4-yl);benzoic acid
CAS Number:
13569-97-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD08056298
IUPAC Name:
4-(1H-imidazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChI Key:
AKDWVSRIPFDSCD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1c[nH]cn1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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