Home Carboxys Ethyl 4-formyl-1h-pyrazole-3-carboxylate

Ethyl 4-formyl-1h-pyrazole-3-carboxylate

CAS No.:
179692-09-2
Catalog Number:
AG00277P
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
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Product Description
Catalog Number:
AG00277P
Chemical Name:
Ethyl 4-formyl-1h-pyrazole-3-carboxylate
CAS Number:
179692-09-2
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD07643185
IUPAC Name:
ethyl 4-formyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
UEQLAZGHIUZUEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]cc1C=O
Properties
Complexity:
184  
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:
0.2  
Properties