Home Nitriles 3,4-Diethoxyphenylacetonitrile

3,4-Diethoxyphenylacetonitrile

CAS No.:
27472-21-5
Catalog Number:
AG00I57E
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Purity
Availability
Location
Price(USD)
Quantity
  
1g
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United States
$553
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Product Description
Catalog Number:
AG00I57E
Chemical Name:
3,4-Diethoxyphenylacetonitrile
CAS Number:
27472-21-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00060715
IUPAC Name:
2-(3,4-diethoxyphenyl)acetonitrile
InChI:
InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChI Key:
OBDKFHFLERWBBI-UHFFFAOYSA-N
SMILES:
CCOc1cc(CC#N)ccc1OCC
EC Number:
248-479-7
Properties
Complexity:
221  
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:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties