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Home Carboxys 1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid

1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid

CAS No.:
92534-69-5
Catalog Number:
AG0064HT
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$1125
- +
100g
98%
In Stock USA
United States
$3125
- +
Product Description
Catalog Number:
AG0064HT
Chemical Name:
1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CAS Number:
92534-69-5
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00222738
IUPAC Name:
2-methyl-4-nitropyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5N3O4/c1-7-4(5(9)10)3(2-6-7)8(11)12/h2H,1H3,(H,9,10)
InChI Key:
ANGMMUPJSXUXGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1C(=O)O)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
ortho-Substituted azoles as selective and dual inhibitors of VEGF receptors 1 and 2. Bioorganic & medicinal chemistry letters 20070301
Properties