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1,3-Dimethylnaphthalene

CAT: 0013-GTR19260855Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260855Size:100 mg
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Description
1,3-Dimethylnaphthalene is a polycyclic aromatic hydrocarbon (PAH) derivative of naphthalene that is frequently found as a persistent chemical pollutant in contaminated marine sediments and coastal wetland ecosystems. 1,3-Dimethylnaphthalene is utilized in environmental research focused on marine biology and the dynamics of biogeochemical systems.
CAS Number
575-41-7
Purity
99.90% (May vary between batches)
Smiles
C=1C=CC2=C (C1) C=C (C=C2C) C
Molecular Formula
C12H12
Molecular Weight
156.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3-Dimethylnaphthalene

1,3-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 3.

CAS Number575-41-7
PubChem CID11327
IUPAC Name1,3-dimethylnaphthalene
Molecular FormulaC12H12
Molecular Weight156.22
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity150
SMILES
CC1=CC2=CC=CC=C2C(=C1)C
InChI
InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChIKey
QHJMFSMPSZREIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethylnaphthalene
CAS: 575-41-7
CID: 11327
Formula: C12H12
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass156.093900383
Monoisotopic Mass156.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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