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Home Other Building Blocks Octyl cyanoacetate

Octyl cyanoacetate

CAS No.:
15666-97-4
Catalog Number:
AG001OW3
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$35
- +
10g
97%
In Stock USA
United States
$46
- +
25g
97%
In Stock USA
United States
$72
- +
Product Description
Catalog Number:
AG001OW3
Chemical Name:
Octyl cyanoacetate
CAS Number:
15666-97-4
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD00075425
IUPAC Name:
octyl 2-cyanoacetate
InChI:
InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3
InChI Key:
MBCTWXWDQMXVDF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CC#N
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Small molecules based on benzo[1,2-b:4,5-b']dithiophene unit for high-performance solution-processed organic solar cells. Journal of the American Chemical Society 20121003
Properties