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Home Nitriles 3,4,5-Trimethoxyphenylacetonitrile

3,4,5-Trimethoxyphenylacetonitrile

CAS No.:
13338-63-1
Catalog Number:
AG0014R5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
>97%
In Stock USA
United States
$61
- +
25g
98%(GC)
In Stock USA
United States
$207
- +
100g
98%(GC)
In Stock USA
United States
$568
- +
250g
98%(GC)
In Stock USA
United States
$1346
- +
Product Description
Catalog Number:
AG0014R5
Chemical Name:
3,4,5-Trimethoxyphenylacetonitrile
CAS Number:
13338-63-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00001912
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3
InChI Key:
ACFJNTXCEQCDBX-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)c(c(c1)OC)OC
EC Number:
236-388-5
UNII:
N1GY2UD3JX
NSC Number:
97556
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-tri-methoxy-phen-yl)acrylonitrile. Acta crystallographica. Section E, Structure reports online 20120301
(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylonitrile. Acta crystallographica. Section E, Structure reports online 20120301
(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