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Home Nitriles 4-Methoxyphenylacetonitrile

4-Methoxyphenylacetonitrile

CAS No.:
104-47-2
Catalog Number:
AG003LOS
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003LOS
Chemical Name:
4-Methoxyphenylacetonitrile
CAS Number:
104-47-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00001919
IUPAC Name:
2-(4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChI Key:
PACGLQCRGWFBJH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC#N
EC Number:
203-206-0
NSC Number:
96
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Activity of meadowfoam (Limnanthes alba) seed meal glucolimnanthin degradation products against soilborne pathogens. Journal of agricultural and food chemistry 20120111
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Sinapis phylogeny and evolution of glucosinolates and specific nitrile degrading enzymes. Phytochemistry 20081201
Biotransformation of p-methoxyphenylacetonitrile into p-methoxyphenylacetic acid by resting cells of Bacillus subtilis. Biotechnology and applied biochemistry 20080701
Properties