Home Nitriles 2,6-dimethoxybenzonitrile

2,6-dimethoxybenzonitrile

CAS No.:
16932-49-3
Catalog Number:
AG007UZJ
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$29
- +
25g
98%
In Stock USA
United States
$85
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG007UZJ
Chemical Name:
2,6-dimethoxybenzonitrile
CAS Number:
16932-49-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00001788
IUPAC Name:
2,6-dimethoxybenzonitrile
InChI:
InChI=1S/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
InChI Key:
XHAHKSSLDJIEDH-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)cccc1OC
EC Number:
241-000-2
NSC Number:
27017
Properties
Complexity:
172  
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:
1.2  
Literature
Title Journal
Photochemical expulsion of the neutral monodentate ligand L in Ru(terpy*)(diimine)(L)2+: a dramatic effect of the steric properties of the spectator diimine ligand. Inorganic chemistry 20041227
Properties