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

Dimethyl 1H-pyrazole-3,5-dicarboxylate

CAS No.:
4077-76-3
Catalog Number:
AG0034RA
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$88
- +
10g
98%
In Stock USA
United States
$150
- +
25g
>95%
In Stock USA
United States
$236
- +
100g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0034RA
Chemical Name:
Dimethyl 1H-pyrazole-3,5-dicarboxylate
CAS Number:
4077-76-3
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00975602
IUPAC Name:
dimethyl 1H-pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)
InChI Key:
SIPQVJNEQSWAOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nc(c1)C(=O)OC
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090501
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties