Home Other Building Blocks Ethyl2-oxo-2-(1H-pyrazol-4-yl)acetate

Ethyl2-oxo-2-(1H-pyrazol-4-yl)acetate

CAS No.:
869557-79-9
Catalog Number:
AG019EYS
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$480
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Product Description
Catalog Number:
AG019EYS
Chemical Name:
Ethyl2-oxo-2-(1H-pyrazol-4-yl)acetate
CAS Number:
869557-79-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD16621373
IUPAC Name:
ethyl 2-oxo-2-(1H-pyrazol-4-yl)acetate
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7(11)6(10)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
CDHWEPXBGNAPSE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cn[nH]c1
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties