sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 4-Hydroxy-3-methoxybenzonitrile

4-Hydroxy-3-methoxybenzonitrile

CAS No.:
4421-08-3
Catalog Number:
AG003LHV
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003LHV
Chemical Name:
4-Hydroxy-3-methoxybenzonitrile
CAS Number:
4421-08-3
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00001820
IUPAC Name:
4-hydroxy-3-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
InChI Key:
QJRWLNLUIAJTAD-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1O
EC Number:
224-589-0
NSC Number:
158285
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Anti-inflammatory effects of methoxyphenolic compounds on human airway cells. Journal of inflammation (London, England) 20120101
The reactivity of ortho-methoxy-substituted catechol radicals with sulfhydryl groups: contribution for the comprehension of the mechanism of inhibition of NADPH oxidase by apocynin. Biochemical pharmacology 20070801
Naravelia zeylanica [corrected] occurrence of primary benzamides in flowering plants. Natural product research 20050401
Properties