Home Nitriles 2-Acetoxybenzonitrile

2-Acetoxybenzonitrile

CAS No.:
5715-02-6
Catalog Number:
AG003GAO
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$90
- +
25g
95%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003GAO
Chemical Name:
2-Acetoxybenzonitrile
CAS Number:
5715-02-6
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00017360
IUPAC Name:
(2-cyanophenyl) acetate
InChI:
InChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3
InChI Key:
XXLKCUTUGWSJJO-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OC(=O)C
EC Number:
227-210-7
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:
1.3  
Properties