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93-17-4,MFCD00001911
Catalog No.:AA003IFL
93-17-4 | (3,4-Dimethoxyphenyl)acetonitrile
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5g
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$15.00   $10.00
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25g
97%
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$22.00   $15.00
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100g
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500g
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  • Technical Information
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Technical Information
Catalog Number:
AA003IFL
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
Computed 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  

Synonyms
 
3,4-dimethoxyphenylacetonitrile 
93-17-4 
NSC 6324 
F0255-0021 
Z1262254379 
InChI=1/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3 
Not Available 
3,4-Dimethylbenzyl cyanide 
ACETONITRILE 
3,4-Dimethoxyphenyl ethanol 
3,4-Dimethoxyphenylacetonitril 
C10H11NO2 
CID66727 
UNII-62C8S706SP 
C10-H11-N-O2 
ACN-032874 
(3,4-Dimethoxyphenyl)acetonitrile, 98% - 100g 100g 
EINECS 202-225-1 
MFCD00001911 
Acetonitrile, 3,4-(dimethoxyphenyl)- 
BRN 1956100 
3,4-DIMETHOXYPHENYL ACETONITRILE 
AI3-23882 
3,4-dimethoxy phenylacetonitrile 
ASLSUMISAQDOOB-UHFFFAOYSA-N 
3,4-Dimethoxyphenylacetonitrile 
3,4-Dimethyloxy phenylacetonotrile 
62C8S706SP 
Acetonitrile, 3,4-dimethoxyphenyl- 
2-(3,4-dimethoxyphenyl)-acetonitrile 
Acetonitrile, (3,4-dimethoxyphenyl)- 
3,4-Dimethoxyphenylacetonitrile (Homoveratronitrile) 
2-(3,4-dimethoxyphenyl)ethanenitrile 
(3,4-Dimethoxyphenyl)acetonitrile, 99+% 
VERATRYLCYANIDE 
PubChem20538 
(3,4-Dimethoxyphenyl)acetonitrile 
ACMC-209rkb 
EC 202-225-1 
benzylcyanide,3,4-dimethoxy 
Oprea1_832287 
SCHEMBL77974 
3,4-dimethoxy-benzyl cyanide 
4-10-00-01513 (Beilstein Handbook Reference) 
KSC486O4D 
ARONIS24077 
WLN: NC1R CO1 DO1 
Homoveratronitrile 
3.4-dimethoxyphenylacetonitrile 
AC1L260T 
AC1Q46T4 
IFLab1_000888 
3,4-dimethyoxyphenylacetonitrile 
Benzeneacetonitrile,4-dimethoxy- 
3,4-dimethoxyphenyl-acetonitrile 
Acetonitrile,4-dimethoxyphenyl)- 
ASLSUMISAQDOOB-UHFFFAOYSA- 
CTK3I6741 
3,4-Dimethoxybenzyl cyanide 
(3,4-Dimethoxyphenyl)acetonirile 
DTXSID30239220 
NSC6324 
3,4-dimethoxy-phenyl-acetonitrile 
3,4-(Dimethoxyphenyl)acetonitrile 
Acetonitrile,4-(dimethoxyphenyl)- 
HMS1414I08 
ZINC155251 
(3,4-dimethoxyphenyl)-acetonitrile 
ALBB-010707 
2-(3,4-dimethoxyphenyl)acetonitrile 
NSC-6324 
(3,4-Dimethoxy-phenyl)-acetonitrile 
ANW-39993 
BBL036932 
SBB050509 
STL195409 
AKOS000199051 
GS-3047 
LS10059 
MCULE-9932105807 
Veratryl cyanide 
RTR-029191 
TRA0094628 
[3,4-bis(methyloxy)phenyl]acetonitrile 
(3,4-Dimethoxyphenyl)acetonitrile, 98% 
AJ-13483 
AK-26452 
AN-42640 
BR-26452 
CJ-01412 
LS-13253 
3,4-Dimethoxybenzeneacetonitrile 
SC-16160 
SY012004 
ZB006000 
AB0068602 
AB1007941 
TL8005910 
TR-029191 
AM20050420 
BB 0240981 
Benzeneacetonitrile, 3,4-dimethoxy- (9CI) 
Benzeneacetonitrile, 3,4-dimethoxy- 
CS-0008419 
D1887 
FT-0614353 
Homoveratronitrile, purum, >=98.0% (GC) 
ST24032535 
ST50406201 
3,4-Dimethoxybenzylcyanide; Homoveratronitrile 
MFCD00001911 (98%) 
S-8199 
W-100249 
Literature

Title: 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.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

Title: Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.

Journal: Journal of industrial microbiology & biotechnology 20100701

Title: (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].

Journal: Acta crystallographica. Section C, Crystal structure communications 20071201

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