Home Other Building Blocks 2-Cyanomethyl benzoic acid ethyl ester

2-Cyanomethyl benzoic acid ethyl ester

CAS No.:
19821-21-7
Catalog Number:
AG002BD2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$56
- +
250mg
95%
In Stock USA
United States
$101
- +
1g
95%
In Stock USA
United States
$202
- +
5g
95%
In Stock USA
United States
$605
- +
Product Description
Catalog Number:
AG002BD2
Chemical Name:
2-Cyanomethyl benzoic acid ethyl ester
CAS Number:
19821-21-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00062509
IUPAC Name:
ethyl 2-(cyanomethyl)benzoate
InChI:
InChI=1S/C11H11NO2/c1-2-14-11(13)10-6-4-3-5-9(10)7-8-12/h3-6H,2,7H2,1H3
InChI Key:
IASCYHRLSNAZIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1CC#N
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/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  
Properties