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

3-(3,3-diethoxypropoxy)benzonitrile

CAS No.:
1394041-76-9
Catalog Number:
AG019TRN
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
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Product Description
Catalog Number:
AG019TRN
Chemical Name:
3-(3,3-diethoxypropoxy)benzonitrile
CAS Number:
1394041-76-9
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD19507849
IUPAC Name:
3-(3,3-diethoxypropoxy)benzonitrile
InChI:
InChI=1S/C14H19NO3/c1-3-16-14(17-4-2)8-9-18-13-7-5-6-12(10-13)11-15/h5-7,10,14H,3-4,8-9H2,1-2H3
InChI Key:
LTHHZLOHKGENKX-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CCOc1cccc(c1)C#N
Properties
Complexity:
255  
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