Home Carboxys 1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, 3,5-dimethyl ester

1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, 3,5-dimethyl ester

CAS No.:
59694-23-4
Catalog Number:
AG00IALE
Molecular Formula:
C7H7N3O6
Molecular Weight:
229.1470
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$205
- +
1g
97%
1 week
United States
$260
- +
5g
95%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG00IALE
Chemical Name:
1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, 3,5-dimethyl ester
CAS Number:
59694-23-4
Molecular Formula:
C7H7N3O6
Molecular Weight:
229.1470
MDL Number:
MFCD00195036
IUPAC Name:
dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C7H7N3O6/c1-15-6(11)3-5(10(13)14)4(9-8-3)7(12)16-2/h1-2H3,(H,8,9)
InChI Key:
RRANRLASTUBGSJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nc(c1N(=O)=O)C(=O)OC
EC Number:
919-109-8
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.148g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties