Home Nitriles 2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile

2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile

CAS No.:
92500-44-2
Catalog Number:
AG01A6OR
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
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Product Description
Catalog Number:
AG01A6OR
Chemical Name:
2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile
CAS Number:
92500-44-2
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD12846537
IUPAC Name:
2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile
InChI:
InChI=1S/C14H19NO2/c1-5-14(6-2,10-15)11-7-8-12(16-3)13(9-11)17-4/h7-9H,5-6H2,1-4H3
InChI Key:
OUIZGIDKSQXOMA-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)OC)OC)(C#N)CC
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties