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Home Other Building Blocks 2,7-Dimethylnaphthalene

2,7-Dimethylnaphthalene

CAS No.:
582-16-1
Catalog Number:
AG003G6V
Molecular Formula:
C12H12
Molecular Weight:
156.2237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$32
- +
250mg
95%
In Stock USA
United States
$55
- +
1g
95%
In Stock USA
United States
$112
- +
25g
98%
In Stock USA
United States
$2614
- +
Product Description
Catalog Number:
AG003G6V
Chemical Name:
2,7-Dimethylnaphthalene
CAS Number:
582-16-1
Molecular Formula:
C12H12
Molecular Weight:
156.2237
MDL Number:
MFCD00004121
IUPAC Name:
2,7-dimethylnaphthalene
InChI:
InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
InChI Key:
LRQYSMQNJLZKPS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(cc2)C
EC Number:
209-477-1
UNII:
ON63XH5BQ4
NSC Number:
36851
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.228g/mol
Monoisotopic Mass:
156.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Effect of NO₂ concentration on dimethylnitronaphthalene yields and isomer distribution patterns from the gas-phase OH radical-initiated reactions of selected dimethylnaphthalenes. Environmental science & technology 20120717
3,8-Dimethyl-acenaphthyl-ene-1,2-dione. Acta crystallographica. Section E, Structure reports online 20110801
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. European journal of medicinal chemistry 20090501
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Journal of medicinal chemistry 20050602
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. Journal of medicinal chemistry 20050127
Anaerobic oxidation of crude oil hydrocarbons by the resident microorganisms of a contaminated anoxic aquifer. Environmental science & technology 20031115
Properties