Home Carboxys Ethyl 5-cyano-1H-pyrazole-3-carboxylate

Ethyl 5-cyano-1H-pyrazole-3-carboxylate

CAS No.:
1809384-28-8
Catalog Number:
AG019EQC
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$663
- +
Product Description
Catalog Number:
AG019EQC
Chemical Name:
Ethyl 5-cyano-1H-pyrazole-3-carboxylate
CAS Number:
1809384-28-8
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD28140578
IUPAC Name:
ethyl 3-cyano-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C7H7N3O2/c1-2-12-7(11)6-3-5(4-8)9-10-6/h3H,2H2,1H3,(H,9,10)
InChI Key:
VQHFICXBLBEZLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)C#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties