Home Nitriles 3,5-Dimethoxyphenylacetonitrile

3,5-Dimethoxyphenylacetonitrile

CAS No.:
13388-75-5
Catalog Number:
AG003IO5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$42
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Product Description
Catalog Number:
AG003IO5
Chemical Name:
3,5-Dimethoxyphenylacetonitrile
CAS Number:
13388-75-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00016395
IUPAC Name:
2-(3,5-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
InChI Key:
UUNRWZQWCNTSCV-UHFFFAOYSA-N
SMILES:
COc1cc(CC#N)cc(c1)OC
NSC Number:
245126
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties