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

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

CAS No.:
494791-30-9
Catalog Number:
AG00DD2Q
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00DD2Q
Chemical Name:
1-Ethyl-4-nitro-1h-pyrazole-5-carboxylic acid
CAS Number:
494791-30-9
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD02090835
IUPAC Name:
2-ethyl-4-nitropyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7N3O4/c1-2-8-5(6(10)11)4(3-7-8)9(12)13/h3H,2H2,1H3,(H,10,11)
InChI Key:
XGQDFPLXJYYOPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1C(=O)O)CC
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties