Home Nitriles 4-(3,3-diethoxypropoxy)benzonitrile

4-(3,3-diethoxypropoxy)benzonitrile

CAS No.:
1394040-22-2
Catalog Number:
AG019TRM
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019TRM
Chemical Name:
4-(3,3-diethoxypropoxy)benzonitrile
CAS Number:
1394040-22-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD18598398
IUPAC Name:
4-(3,3-diethoxypropoxy)benzonitrile
InChI:
InChI=1S/C14H19NO3/c1-3-16-14(17-4-2)9-10-18-13-7-5-12(11-15)6-8-13/h5-8,14H,3-4,9-10H2,1-2H3
InChI Key:
RENMOLLSQTXVQZ-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CCOc1ccc(cc1)C#N
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties