Home Carboxys Ethyl 3-cyano-1h-pyrrole-2-carboxylate

Ethyl 3-cyano-1h-pyrrole-2-carboxylate

CAS No.:
7126-44-5
Catalog Number:
AG0069WO
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$175
- +
250mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0069WO
Chemical Name:
Ethyl 3-cyano-1h-pyrrole-2-carboxylate
CAS Number:
7126-44-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD12756171
IUPAC Name:
ethyl 3-cyano-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H8N2O2/c1-2-12-8(11)7-6(5-9)3-4-10-7/h3-4,10H,2H2,1H3
InChI Key:
OSBMXQIJLZOLET-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]ccc1C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties