Home Carboxes 100453-11-0
100453-11-0,MFCD00799271
Catalog No.:AA0001XW
100453-11-0 | Ethyl 1-methylbutyl cyanoacetate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%(totalisomers)
in stock  
$71.00   $50.00
- +
5g
97%(totalisomers)
in stock  
$170.00   $119.00
- +
25g
97%(totalisomers)
in stock  
$466.00   $327.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001XW
Chemical Name:
Ethyl 1-methylbutyl cyanoacetate
CAS Number:
100453-11-0
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
MDL Number:
MFCD00799271
IUPAC Name:
ethyl 2-cyano-2-ethyl-3-methylhexanoate
InChI:
InChI=1S/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3
InChI Key:
FOGOQVLUCORCHH-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)OCC)(C#N)CC)C
EC Number:
700-063-0
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A