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13388-75-5,MFCD00016395
Catalog No.:AA003ILD
13388-75-5 | 3,5-Dimethoxyphenylacetonitrile
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5g
95%
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$46.00   $32.00
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Technical Information
Catalog Number:
AA003ILD
Chemical Name:
3,5-Dimethoxyphenylacetonitrile
CAS Number:
13388-75-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00016395
IUPAC Name:
2-(3,5-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
InChI Key:
UUNRWZQWCNTSCV-UHFFFAOYSA-N
SMILES:
COc1cc(CC#N)cc(c1)OC
NSC Number:
245126
Properties
Computed Properties
 
Complexity:
184  
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:
1.5  

Synonyms
 
3,5-Dimethoxyphenylacetonitrile 
13388-75-5 
NSC245126 
PubChem16207 
AC1L3EVJ 
3,5-dimethoxybenzylcyanide 
ACMC-20a41u 
AC1Q48C5 
BEN097 
SCHEMBL1046247 
3,5-di methoxyphenylacetonitrile 
CTK3J4701 
2-(3,5-dimethoxyphenyl)acetonitrile 
DTXSID50158409 
UUNRWZQWCNTSCV-UHFFFAOYSA-N 
3,4-Dimethyloxy phenylacetonitrile 
ZINC400318 
Benzeneacetonitrile,3,5-dimethoxy- 
(3,5-Dimethoxyphenyl) acetonitrile 
(3,5-dimethoxyphenyl)-acetonitrile 
(3,5-dimethoxy-phenyl)-acetonitrile 
ANW-56176 
CD-415 
(3,5-Dimethoxyphenyl)acetonitrile 
SBB005899 
2-(3,5-dimethoxyphenyl)-acetonitrile 
AKOS005207122 
CS-W008471 
FS-1541 
MCULE-5280699028 
NSC-245126 
RTR-004591 
TRA0025175 
VZ25822 
3,5-Dimethoxy-benzeneacetonitrile 
(3,5-Dimethoxyphenyl)acetonitrile, 97% 
AC-30150 
AJ-21786 
AK-33141 
SC-13858 
SY012006 
ZB012832 
AB0010283 
DB-022086 
DB-049939 
Benzeneacetonitrile, 3,5-dimethoxy- 
ST2403866 
TL8000012 
TR-004591 
AM20020410 
D5186 
FT-0614647 
ST50408109 
MFCD00016395 (95%) 
A24716 
M-2669 
3,5-(dimethoxyphenyl)acetonitrile 
388D755 
A844467 
AA-504/07219022 
I01-1454 
I01-6756 
J-501107 
Benzeneacetonitrile,3,5-dimethoxy-;2-(3,5-dimethoxyphenyl)acetonitrile;5-DiMethoxyphenylacetonitrile 
3,4-Dimethoxyphenylacetonitrile 
C10H11NO2 
CID139445 
MFCD00016395 
ACN-051675 
(3,5-Dimethoxyphenyl)acetonitrile, 98% - 1G 1g 
93-17-4 
2-(3,5-dimethoxyphenyl)ethanenitrile 
3,5-DIMETHOXYBENZYL CYANIDE 
Literature
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