Home Nitriles 4-Hydroxy-3,5-dimethoxybenzonitrile

4-Hydroxy-3,5-dimethoxybenzonitrile

CAS No.:
72684-95-8
Catalog Number:
AG005FNF
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$177
- +
1g
97%
1 week
United States
$316
- +
5g
97%
1 week
United States
$1142
- +
Product Description
Catalog Number:
AG005FNF
Chemical Name:
4-Hydroxy-3,5-dimethoxybenzonitrile
CAS Number:
72684-95-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD09835372
IUPAC Name:
4-hydroxy-3,5-dimethoxybenzonitrile
InChI:
InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3
InChI Key:
JKPLQGXXESDJLY-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1O)OC
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties