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4-(1H-imidazol-1-ylmethyl)Benzoic acid

Catalog Number
ACM94084750-2
Product Name
4-(1H-imidazol-1-ylmethyl)Benzoic acid
CAS
94084-75-0
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
4'-(Imidazol-1-ylmethyl)benzoate
IUPAC Name
4-(imidazol-1-ylmethyl)benzoic acid
Molecular Weight
202.21
Molecular Formula
C11H10N2O2
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2,(H,14,15)
InChI Key
PBTHRDAMTTXZFL-UHFFFAOYSA-N
Purity
98%
Complexity
225
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
Length
10-30um
Monoisotopic Mass
202.074227566g/mol
Rotatable Bond Count
3
SSA
>110 m2/g
Topological Polar Surface Area
55.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.1
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