Home Nitriles (4-Ethoxy-phenyl)-oxo-acetonitrile

(4-Ethoxy-phenyl)-oxo-acetonitrile

CAS No.:
62869-42-5
Catalog Number:
AG00E9R8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$136
- +
250mg
95%
1 week
United States
$173
- +
1g
95%
1 week
United States
$375
- +
Product Description
Catalog Number:
AG00E9R8
Chemical Name:
(4-Ethoxy-phenyl)-oxo-acetonitrile
CAS Number:
62869-42-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD06658436
IUPAC Name:
4-ethoxybenzoyl cyanide
InChI:
InChI=1S/C10H9NO2/c1-2-13-9-5-3-8(4-6-9)10(12)7-11/h3-6H,2H2,1H3
InChI Key:
YVBOJNSWAFYUCA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties