Home Nitriles 2,5-Dimethoxybenzonitrile

2,5-Dimethoxybenzonitrile

CAS No.:
5312-97-0
Catalog Number:
AG003FYY
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003FYY
Chemical Name:
2,5-Dimethoxybenzonitrile
CAS Number:
5312-97-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00016375
IUPAC Name:
2,5-dimethoxybenzonitrile
InChI:
InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3
InChI Key:
HWAMEJIMXIXLIH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#N)OC
EC Number:
226-169-2
NSC Number:
27019
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties