Home Nitriles 3-Ethoxybenzonitrile

3-Ethoxybenzonitrile

CAS No.:
25117-75-3
Catalog Number:
AG003JDR
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%GC)
In Stock USA
United States
$104
- +
25g
98%GC)
In Stock USA
United States
$373
- +
Product Description
Catalog Number:
AG003JDR
Chemical Name:
3-Ethoxybenzonitrile
CAS Number:
25117-75-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00001805
IUPAC Name:
3-ethoxybenzonitrile
InChI:
InChI=1S/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H3
InChI Key:
PFNAUBYHTWDKBO-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)C#N
EC Number:
246-632-2
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties