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6-(1H-Pyrazol-1-yl)nicotinic acid

Catalog Number
ACM253315229-2
CAS Number
253315-22-9
Product Name
6-(1H-Pyrazol-1-yl)nicotinic acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
6-Pyrazol-1-Ylpyridine-3-Carboxylic Acid
IUPAC Name
6-pyrazol-1-ylpyridine-3-carboxylic acid
Molecular Weight
189.17
Molecular Formula
C9H7N3O2
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H,(H,13,14)
InChI Key
QWFKXYLAKWFQLF-UHFFFAOYSA-N
Purity
97%
Complexity
222
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
Monoisotopic Mass
189.053826475g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
68Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.7
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