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

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

CAS No.:
1461705-74-7
Catalog Number:
AG01A5OS
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01A5OS
Chemical Name:
3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
CAS Number:
1461705-74-7
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD20175081
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C12H15NO2/c1-9(8-13)6-10-4-5-11(14-2)12(7-10)15-3/h4-5,7,9H,6H2,1-3H3
InChI Key:
QYPVUSRSPJQLAY-UHFFFAOYSA-N
SMILES:
N#CC(Cc1ccc(c(c1)OC)OC)C
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties