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Home Other Building Blocks 2-Ethylhexyl cyanoacetate

2-Ethylhexyl cyanoacetate

CAS No.:
13361-34-7
Catalog Number:
AG003B7U
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$48
- +
25g
98%(GC)
In Stock USA
United States
$76
- +
100g
98%(GC)
In Stock USA
United States
$205
- +
250g
98%(GC)
In Stock USA
United States
$446
- +
Product Description
Catalog Number:
AG003B7U
Chemical Name:
2-Ethylhexyl cyanoacetate
CAS Number:
13361-34-7
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD00019843
IUPAC Name:
2-ethylhexyl 2-cyanoacetate
InChI:
InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
InChI Key:
ZNYBQVBNSXLZNI-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CC#N)CC
EC Number:
236-425-5
NSC Number:
69963
Properties
Complexity:
205  
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:
8  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
A star-shaped oligothiophene end-capped with alkyl cyanoacetate groups for solution-processed organic solar cells. Chemical communications (Cambridge, England) 20121007
Properties