Home Nitriles (3,4-Dimethoxyphenyl)acetonitrile

(3,4-Dimethoxyphenyl)acetonitrile

CAS No.:
93-17-4
Catalog Number:
AG003IID
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003IID
Chemical Name:
(3,4-Dimethoxyphenyl)acetonitrile
CAS Number:
93-17-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00001911
IUPAC Name:
2-(3,4-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
InChI Key:
ASLSUMISAQDOOB-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)OC
EC Number:
202-225-1
UNII:
62C8S706SP
NSC Number:
6324
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101
Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401. Journal of industrial microbiology & biotechnology 20100701
(Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected]. Acta crystallographica. Section C, Crystal structure communications 20071201
Properties