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Home Carboxys 5-Isopropyl-4-nitro-1H-pyrazole-3-carboxylic acid

5-Isopropyl-4-nitro-1H-pyrazole-3-carboxylic acid

CAS No.:
141721-97-3
Catalog Number:
AG001GXT
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$91
- +
250mg
95%
In Stock USA
United States
$164
- +
1g
95%
In Stock USA
United States
$328
- +
Product Description
Catalog Number:
AG001GXT
Chemical Name:
5-Isopropyl-4-nitro-1H-pyrazole-3-carboxylic acid
CAS Number:
141721-97-3
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD09052668
IUPAC Name:
4-nitro-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H9N3O4/c1-3(2)4-6(10(13)14)5(7(11)12)9-8-4/h3H,1-2H3,(H,8,9)(H,11,12)
InChI Key:
KASVWBYINCPZIG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c([nH]nc1C(=O)O)C(C)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties