Home Carboxys 1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid

1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid

CAS No.:
4598-86-1
Catalog Number:
AG00D8LK
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$369
- +
10g
97%
In Stock USA
United States
$613
- +
25g
97%
In Stock USA
United States
$1150
- +
Product Description
Catalog Number:
AG00D8LK
Chemical Name:
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
CAS Number:
4598-86-1
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00464004
IUPAC Name:
1-methyl-4-nitropyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(6-7)5(9)10/h2H,1H3,(H,9,10)
InChI Key:
OMMBYRSUPXNTEK-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)[N+](=O)[O-])C(=O)O
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  
Properties