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Home Other Building Blocks Benzyl cyanoacetate

Benzyl cyanoacetate

CAS No.:
14447-18-8
Catalog Number:
AG001JM4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG001JM4
Chemical Name:
Benzyl cyanoacetate
CAS Number:
14447-18-8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00051719
IUPAC Name:
benzyl 2-cyanoacetate
InChI:
InChI=1S/C10H9NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2
InChI Key:
RCUIWQWWDLZNMS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OCc1ccccc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Decarboxylative benzylation and arylation of nitriles. Chemical communications (Cambridge, England) 20120104
Properties