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Home Nitriles 2-Hydroxy-3-methoxyphenylacetonitrile

2-Hydroxy-3-methoxyphenylacetonitrile

CAS No.:
42973-56-8
Catalog Number:
AG00BYZR
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$80
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Product Description
Catalog Number:
AG00BYZR
Chemical Name:
2-Hydroxy-3-methoxyphenylacetonitrile
CAS Number:
42973-56-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00060693
IUPAC Name:
2-(2-hydroxy-3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO2/c1-12-8-4-2-3-7(5-6-10)9(8)11/h2-4,11H,5H2,1H3
InChI Key:
HGPGOFBJMBBPAX-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1O)OC
NSC Number:
291918
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:
1  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Mechanism of simmondsin decomposition during sodium hydroxide treatment. Journal of agricultural and food chemistry 20030226
Properties