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159589-67-0 | Benzoic acid, 2-(1H-imidazol-1-yl)-
CAS No: 159589-67-0 Catalog No: AG001R69 MDL No:MFCD06254507
Product Description
Catalog Number:
AG001R69
Chemical Name:
Benzoic acid, 2-(1H-imidazol-1-yl)-
CAS Number:
159589-67-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06254507
IUPAC Name:
2-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H,(H,13,14)
InChI Key:
JLUJWVALPVZBOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1cncc1
Properties
Complexity:
220
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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