CAS 1017794-47-6 4-(1H-Pyrazol-4-yl)benzoic acid

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MOFs and COFs Compound

Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand

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

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Catalog Number

ACM1017794476-3

Product Name

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

CAS

1017794-47-6

Category

Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand

Synonyms

4-Pyrazol-4-ylbenzoic acid

IUPAC Name

4-(1H-pyrazol-4-yl)benzoic acid

Molecular Weight

188.18

Molecular Formula

C10H8N2O2

Canonical SMILES

C1=CC(=CC=C1C2=CNN=C2)C(=O)O

InChI

InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)

InChI Key

ZGICHEMKLPXWPZ-UHFFFAOYSA-N

Purity

95%

Appearance

White solid

Complexity

212

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

188.058577502g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

188.058577502g/mol

Rotatable Bond Count

Topological Polar Surface Area

66Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

1.4

MSDS

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COA

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Spec Sheet

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