Home Carboxys Ethyl 5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylate

Ethyl 5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylate

CAS No.:
58607-90-2
Catalog Number:
AG00EHIC
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$159
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Product Description
Catalog Number:
AG00EHIC
Chemical Name:
Ethyl 5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylate
CAS Number:
58607-90-2
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD00020698
IUPAC Name:
ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h2-3H2,1H3,(H,8,9)
InChI Key:
KNWNWWDKWKYUBB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NNC(=O)C1
NSC Number:
14668
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
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