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4-(2-Methyl-1H-imidazol-1-yl)-Benzoic acid

Catalog Number
ACM101184116-2
CAS Number
101184-11-6
Product Name
4-(2-Methyl-1H-imidazol-1-yl)-Benzoic acid
Category
Customizable MOF Linkers
Synonyms
4-(2-Methyl-imidazol-1-yl)-benzoic acid
IUPAC Name
4-(2-methylimidazol-1-yl)benzoic acid
Molecular Weight
202.21
Molecular Formula
C11H10N2O2
InChI
InChI=1S/C11H10N2O2/c1-8-12-6-7-13(8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key
MESQWWFGNOQOMI-UHFFFAOYSA-N
Boiling Point
300-305 °C
Melting Point
300-305 °C
Purity
98%
Complexity
237
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
202.074227566g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
202.074227566g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
55.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.6
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