Home Nitriles Benzeneacetonitrile, 4-methoxy-2,6-dimethyl-

Benzeneacetonitrile, 4-methoxy-2,6-dimethyl-

CAS No.:
61000-23-5
Catalog Number:
AG01DTFP
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG01DTFP
Chemical Name:
Benzeneacetonitrile, 4-methoxy-2,6-dimethyl-
CAS Number:
61000-23-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
2-(4-methoxy-2,6-dimethylphenyl)acetonitrile
InChI:
InChI=1S/C11H13NO/c1-8-6-10(13-3)7-9(2)11(8)4-5-12/h6-7H,4H2,1-3H3
InChI Key:
HSOYUTHESHEZJL-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)CC#N
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties