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22972-63-0 | Benzeneacetonitrile, 3,5-dimethoxy-α,α-dimethyl-
CAS No: 22972-63-0 Catalog No: AG002LRV MDL No:MFCD09749864
Product Description
Catalog Number:
AG002LRV
Chemical Name:
Benzeneacetonitrile, 3,5-dimethoxy-α,α-dimethyl-
CAS Number:
22972-63-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD09749864
IUPAC Name:
2-(3,5-dimethoxyphenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C12H15NO2/c1-12(2,8-13)9-5-10(14-3)7-11(6-9)15-4/h5-7H,1-4H3
InChI Key:
HUNVEDXBDXUTNF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(C#N)(C)C
Properties
Complexity:
242
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:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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