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253315-22-9 | 6-(1H-Pyrazol-1-yl)nicotinic acid
CAS No: 253315-22-9 Catalog No: AG003MZ0 MDL No:MFCD00140749
Product Description
Catalog Number:
AG003MZ0
Chemical Name:
6-(1H-Pyrazol-1-yl)nicotinic acid
CAS Number:
253315-22-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD00140749
IUPAC Name:
6-pyrazol-1-ylpyridine-3-carboxylic acid
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
SMILES:
OC(=O)c1ccc(nc1)n1cccn1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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