Home Other Building Blocks Diethyl 2-(4-cyanophenyl)malonate

Diethyl 2-(4-cyanophenyl)malonate

CAS No.:
201404-26-4
Catalog Number:
AG002DDR
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$88
- +
1g
95%
In Stock USA
United States
$175
- +
5g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG002DDR
Chemical Name:
Diethyl 2-(4-cyanophenyl)malonate
CAS Number:
201404-26-4
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD08703137
IUPAC Name:
diethyl 2-(4-cyanophenyl)propanedioate
InChI:
InChI=1S/C14H15NO4/c1-3-18-13(16)12(14(17)19-4-2)11-7-5-10(9-15)6-8-11/h5-8,12H,3-4H2,1-2H3
InChI Key:
XKGWMWFGOLJWRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)C#N)C(=O)OCC
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties