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3-(1H-Imidazol-1-yl)benzoic acid

Catalog Number
ACM108035478-1
CAS Number
108035-47-8
Product Name
3-(1H-Imidazol-1-yl)benzoic acid
Structure
Category
Customizable MOF Linkers
Synonyms
3-Imidazol-1-ylbenzoic Acid
IUPAC Name
3-imidazol-1-ylbenzoic acid
Molecular Weight
188.18
Molecular Formula
C10H8N2O2
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,(H,13,14)
InChI Key
WXHAKCASYYCJED-UHFFFAOYSA-N
Boiling Point
194 °C
Melting Point
194 °C
Purity
95%
Complexity
220
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
188.058577502g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
188.058577502g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
55.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.2
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