Home Nitriles 4-Methoxyphenoxyacetonitrile

4-Methoxyphenoxyacetonitrile

CAS No.:
22446-12-4
Catalog Number:
AG003LO6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG003LO6
Chemical Name:
4-Methoxyphenoxyacetonitrile
CAS Number:
22446-12-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00017528
IUPAC Name:
2-(4-methoxyphenoxy)acetonitrile
InChI:
InChI=1S/C9H9NO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,7H2,1H3
InChI Key:
SNADCCRKYFVIEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCC#N
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties