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152775-45-6,MFCD03428544
Catalog No.:AA003ILV
152775-45-6 | 4-Methoxy-3,5-dimethylbenzonitrile
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Purity
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Price(USD)
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1g
95%
1 week  
$166.00   $116.00
- +
5g
95%
1 week  
$383.00   $268.00
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Technical Information
Catalog Number:
AA003ILV
Chemical Name:
4-Methoxy-3,5-dimethylbenzonitrile
CAS Number:
152775-45-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD03428544
IUPAC Name:
4-methoxy-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,1-3H3
InChI Key:
LOWLIBHYJIAZTN-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C#N
Properties
Computed Properties
 
Complexity:
181  
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:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
4-methoxy-3,5-dimethylbenzonitrile 
152775-45-6 
4-Methoxy-3,5-dimethyl-benzonitrile 
MFCD03428544 
AKOS013153311 
AS03731 
CM13061 
DS-6020 
3 5-Dimethyl-4-methoxybenzonitrile 97 
AJ-43675 
AK129028 
3,5-Dimethyl-4-methoxybenzonitrile, 97% 
3,5-Dimethyl-4-methoxybenzonitrile 
DB-024382 
RT-019327 
FT-0766473 
X4273 
I01-8183 
J-008948 
C10H11NO 
Benzonitrile, 4-methoxy-3,5-dimethyl- 
A3354 
ACMC-20ancd 
Intermediates-ZCF02164 
SCHEMBL932145 
CTK6J3956 
DTXSID10566465 
3 5-Dimethyl-4-methoxybenzonitrile 
ZINC2586007 
Literature
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