Home Nitriles 2-(3,4-dimethoxy-2-methylphenyl)acetonitrile

2-(3,4-dimethoxy-2-methylphenyl)acetonitrile

CAS No.:
7537-06-6
Catalog Number:
AG01BG5P
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG01BG5P
Chemical Name:
2-(3,4-dimethoxy-2-methylphenyl)acetonitrile
CAS Number:
7537-06-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD27928343
IUPAC Name:
2-(3,4-dimethoxy-2-methylphenyl)acetonitrile
InChI:
InChI=1S/C11H13NO2/c1-8-9(6-7-12)4-5-10(13-2)11(8)14-3/h4-5H,6H2,1-3H3
InChI Key:
GQACBHMLNXXGIO-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1C)OC)OC
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties