Home Other Building Blocks ethyl 2,3-dicyano-3-methylpropanoate

ethyl 2,3-dicyano-3-methylpropanoate

CAS No.:
13121-23-8
Catalog Number:
AG01AL2U
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AL2U
Chemical Name:
ethyl 2,3-dicyano-3-methylpropanoate
CAS Number:
13121-23-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD19301219
IUPAC Name:
ethyl 2,3-dicyanobutanoate
InChI:
InChI=1S/C8H10N2O2/c1-3-12-8(11)7(5-10)6(2)4-9/h6-7H,3H2,1-2H3
InChI Key:
QQUMBAZXHHCNOC-UHFFFAOYSA-N
SMILES:
CC(C#N)C(C(=O)OCC)C#N
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties