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Home Nitriles 3-Methoxy-4-methylphenylacetonitrile

3-Methoxy-4-methylphenylacetonitrile

CAS No.:
64829-31-8
Catalog Number:
AG003JMX
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$132
- +
25g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003JMX
Chemical Name:
3-Methoxy-4-methylphenylacetonitrile
CAS Number:
64829-31-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00060309
IUPAC Name:
2-(3-methoxy-4-methylphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5H2,1-2H3
InChI Key:
KRGXHARSWLJCGO-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)C
NSC Number:
148961
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties