Home Other Building Blocks Methyl 2-cyano-2-ethylbutanoate

Methyl 2-cyano-2-ethylbutanoate

CAS No.:
53692-88-9
Catalog Number:
AG01A7JB
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
25g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG01A7JB
Chemical Name:
Methyl 2-cyano-2-ethylbutanoate
CAS Number:
53692-88-9
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD14693745
IUPAC Name:
methyl 2-cyano-2-ethylbutanoate
InChI:
InChI=1S/C8H13NO2/c1-4-8(5-2,6-9)7(10)11-3/h4-5H2,1-3H3
InChI Key:
TUBVFZQQDWUXFI-UHFFFAOYSA-N
SMILES:
COC(=O)C(C#N)(CC)CC
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties