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Home Carboxys 3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate

3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate

CAS No.:
37687-24-4
Catalog Number:
AG0034Q0
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
5g
97%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$388
- +
Product Description
Catalog Number:
AG0034Q0
Chemical Name:
3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate
CAS Number:
37687-24-4
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD00152167
IUPAC Name:
diethyl 1H-pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:
MBWXLICVQZUJOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(c1)C(=O)OCC
NSC Number:
97126
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
The sodium salt of diethyl 1H-pyrazole-3,5-dicarboxylate as an efficient amphiphilic receptor for dopamine and amphetamines. crystal structure and solution studies. Journal of the American Chemical Society 20061227
The structure of ammonium pyrazolates in the solid state. Magnetic resonance in chemistry : MRC 20061201
Properties