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5-(1H-pyrazol-4-yl)isophthalic acid

Name: 5-(1H-pyrazol-4-yl)isophthalic acid
SKU: ACM1108726744-2
Rating: 5 (1 reviews)

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Catalog NumberACM1108726744-2

CAS Number1108726-74-4

CategoryCarboxylic acid nitrogen-containing mixed MOF ligand-ternary mixed ligand

Synonyms

H3paip

IUPAC Name

5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxylic acid

Molecular Weight

232.19

Molecular Formula

C11H8N2O4

InChI

InChI=1S/C11H8N2O4/c14-10(15)7-1-6(9-4-12-13-5-9)2-8(3-7)11(16)17/h1-5H,(H,12,13)(H,14,15)(H,16,17)

InChI Key

PPAVNVRCVCVWOF-UHFFFAOYSA-N

Purity

97%

Appearance

Yellow powder

Complexity

299

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

232.04840674g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

232.04840674g/mol

Rotatable Bond Count

Topological Polar Surface Area

103Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

0.9

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