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575-41-7 | 1,3-DIMETHYLNAPHTHALENE
CAS No: 575-41-7 Catalog No: AG003DKG MDL No:MFCD00004036
Product Description
Catalog Number:
AG003DKG
Chemical Name:
1,3-DIMETHYLNAPHTHALENE
CAS Number:
575-41-7
MDL Number:
MFCD00004036
IUPAC Name:
1,3-dimethylnaphthalene
InChI:
InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChI Key:
QHJMFSMPSZREIF-UHFFFAOYSA-N
EC Number:
209-384-6
UNII:
3RY1AV3CER
NSC Number:
66991
Properties
Complexity:
150
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:
4.4
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 |
| 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 |
| Bioconcentration, biotransformation, and elimination of polycyclic aromatic hydrocarbons in sheepshead minnows (Cyprinodon variegatus) exposed to contaminated seawater. | Environmental toxicology and chemistry 20040601 |
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