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4-((1H-Pyrazol-1-yl)methyl)benzoic acid

Catalog Number
ACM160388534-1
CAS Number
160388-53-4
Product Name
4-((1H-Pyrazol-1-yl)methyl)benzoic acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
4-(Pyrazol-1-ylmethyl)benzoic acid
IUPAC Name
4-(pyrazol-1-ylmethyl)benzoic acid
Molecular Weight
202.21
Molecular Formula
C11H10N2O2
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
InChI Key
ZHQQRHUITAFMTC-UHFFFAOYSA-N
Boiling Point
192 °C
Melting Point
192 °C
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
Monoisotopic Mass
202.074227566g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
55.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.3
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