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Home Carboxys 4-Nitro-1H-pyrazole-3-carboxylic acid

4-Nitro-1H-pyrazole-3-carboxylic acid

CAS No.:
5334-40-7
Catalog Number:
AG003LUE
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$10
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$65
- +
100g
95%
In Stock USA
United States
$245
- +
Product Description
Catalog Number:
AG003LUE
Chemical Name:
4-Nitro-1H-pyrazole-3-carboxylic acid
CAS Number:
5334-40-7
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD00090899
IUPAC Name:
4-nitro-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9)
InChI Key:
ZMAXXOYJWZZQBK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn[nH]c1C(=O)O
NSC Number:
1411
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
A series of D-amino acid oxidase inhibitors specifically prevents and reverses formalin-induced tonic pain in rats. The Journal of pharmacology and experimental therapeutics 20110101
New heterocyclic beta-sheet ligands with peptidic recognition elements. The Journal of organic chemistry 20040806
Properties