Home Nitriles (3-Methoxy-phenyl)-oxo-acetonitrile

(3-Methoxy-phenyl)-oxo-acetonitrile

CAS No.:
23194-66-3
Catalog Number:
AG002MHP
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 96% (HPLC)
1 week
United States
$159
- +
5g
≥ 96% (HPLC)
1 week
United States
$446
- +
Product Description
Catalog Number:
AG002MHP
Chemical Name:
(3-Methoxy-phenyl)-oxo-acetonitrile
CAS Number:
23194-66-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD06658461
IUPAC Name:
3-methoxybenzoyl cyanide
InChI:
InChI=1S/C9H7NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,1H3
InChI Key:
XXPLCTVJWFATQO-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1cccc(c1)OC
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties