Home Nitriles 4-(2,2-diethoxyethyl)benzonitrile

4-(2,2-diethoxyethyl)benzonitrile

CAS No.:
1797334-40-7
Catalog Number:
AG01AFWP
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01AFWP
Chemical Name:
4-(2,2-diethoxyethyl)benzonitrile
CAS Number:
1797334-40-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD27920255
IUPAC Name:
4-(2,2-diethoxyethyl)benzonitrile
InChI:
InChI=1S/C13H17NO2/c1-3-15-13(16-4-2)9-11-5-7-12(10-14)8-6-11/h5-8,13H,3-4,9H2,1-2H3
InChI Key:
YYXWJEFOWJNWJR-UHFFFAOYSA-N
SMILES:
CCOC(Cc1ccc(cc1)C#N)OCC
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties