CAS 575-43-9 | 1,6-DIMETHYLNAPHTHALENE | CAS Number 575-43-9

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575-43-9 | 1,6-DIMETHYLNAPHTHALENE

CAS No: 575-43-9 Catalog No: AG003DRC MDL No:MFCD00004039

Product Description

Catalog Number:

AG003DRC

Chemical Name:

1,6-DIMETHYLNAPHTHALENE

CAS Number:

575-43-9

Molecular Formula:

C12H12

Molecular Weight:

156.2237

MDL Number:

MFCD00004039

IUPAC Name:

1,6-dimethylnaphthalene

InChI:

InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3

InChI Key:

CBMXCNPQDUJNHT-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)cccc2C

EC Number:

209-385-1

UNII:

DXN13WI5EY

NSC Number:

52966

Properties

Complexity:

150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.228g/mol

Monoisotopic Mass:

156.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
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
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
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
Disposition and metabolism of 1,6-dimethylnaphthalene in rats.	Toxicology letters 20020805
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.	Chemical research in toxicology 20010301