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874-63-5,MFCD00008398
Catalog No.:AA003ILY
874-63-5 | 3,5-Dimethylanisole
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Purity
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1g
95%
in stock  
$38.00   $27.00
- +
5g
95%
in stock  
$40.00   $28.00
- +
10g
95%
in stock  
$54.00   $38.00
- +
25g
95%
in stock  
$85.00   $60.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ILY
Chemical Name:
3,5-Dimethylanisole
CAS Number:
874-63-5
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00008398
IUPAC Name:
1-methoxy-3,5-dimethylbenzene
InChI:
InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3
InChI Key:
JCHJBEZBHANKGA-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc(c1)C
EC Number:
212-865-3
NSC Number:
406910
Properties
Computed Properties
 
Complexity:
90.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3,5-Dimethylanisole 
874-63-5 
EINECS 212-865-3 
NSC406910 
3,5-Dimethylanizole 
ACMC-1BKXT 
AI3-11303 
Anisole, 3,5-dimethyl 
AC1L2DEN 
NCIOpen2_003733 
KSC494E7H 
SCHEMBL145855 
1-Methoxy-3,5-dimethylbenzene 
5-Methoxy-1,3-dimethylbenzene 
SCHEMBL13322156 
3,5-Dimethylanisole, >=99% 
3,5-Dimethylphenyl methyl ether 
CTK3J4273 
JCHJBEZBHANKGA-UHFFFAOYSA- 
DTXSID40236326 
1-Methoxy-3,5-dimethylbenzene # 
ZINC967263 
KS-00000EX9 
5-Methoxy-m-xylene 
ANW-38818 
AKOS008948118 
AS02545 
CM11742 
MCULE-9665748643 
NSC-406910 
PS-6237 
RTC-063804 
TRA0012289 
VZ25836 
Benzene, 1-methoxy-3,5-dimethyl- 
AJ-24440 
AN-47877 
CJ-04572 
SC-11602 
ZB015368 
DB-031939 
ST2403447 
TC-063804 
D2441 
FT-0614686 
MFCD00008398 
V2164 
AZ0001-0330 
I01-6403 
W-104021 
InChI=1/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3 
2,5-Dimethylanisole 
Dimethyl-3,5-anisole 
C9H12O 
C9-H12-O 
CID70126 
1-methoxy-3,5-dimethyl-benzene 
1,3-DIMETHYL-5-METHOXYBENZENE 
3,5-Dimethylanisole, 98% - 100G 100g 
JCHJBEZBHANKGA-UHFFFAOYSA-N 
3,5-Dimethylanisole, 99% 
3,5-dimethylanisol 
Literature

Title: Experimental and computational studies on the iridium activation of aliphatic and aromatic C-H bonds of alkyl aryl ethers and related molecules.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20090914

Title: Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent.

Journal: Physical chemistry chemical physics : PCCP 20090714

Title: Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.

Journal: Organic & biomolecular chemistry 20050907

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