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4-(2-Methyl-Imidazol-1-Ylmethyl)-Benzoic Acid

Catalog Number
ACM192637186-1
Product Name
4-(2-Methyl-Imidazol-1-Ylmethyl)-Benzoic Acid
CAS
192637-18-6
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
IUPAC Name
4-[(2-methylimidazol-1-yl)methyl]benzoic acid
Molecular Weight
216.24g/mol
Molecular Formula
C12H12N2O2
InChI
InChI=1S/C12H12N2O2/c1-9-13-6-7-14(9)8-10-2-4-11(5-3-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key
ZZIJCEAXGOLEIE-UHFFFAOYSA-N
Complexity
249
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
216.089877630g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Length
10-20um
Monoisotopic Mass
216.089877630g/mol
Rotatable Bond Count
3
SSA
>400 m2/g
Topological Polar Surface Area
55.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.5
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