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MOF&4-(4H-1,2,4-Triazol-4-yl)benzoic acid

Catalog Number
ACMA00021660
Product Name
MOF&4-(4H-1,2,4-Triazol-4-yl)benzoic acid
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
IUPAC Name
4-(1,2,4-triazol-4-yl)benzoic acid
Molecular Weight
189.17g/mol
Molecular Formula
C9H7N3O2
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChI Key
QCNDLFQKKMPZKH-UHFFFAOYSA-N
Application
NA
Complexity
208
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
189.053826475g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Maximum Concentration
10mg/ml
Monoisotopic Mass
189.053826475g/mol
Packaging
100 ml
Parameter
C: 1mg/ml Solvent: ETH,DMF
Rotatable Bond Count
2
Solvent
Water,DMF;Ethanol,DMF
Standard Concentration
1 mg/ml
Topological Polar Surface Area
68Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.6
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