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2,6-Dimethoxynaphthalene

CAT: 0024-sc-231203Size: 1 gDry Ice: NoHazardous: No
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CAS Number
5486-55-5

Chemical Information

2,6-Dimethoxynaphthalene

structure in first source

CAS Number5486-55-5
PubChem CID79627
IUPAC Name2,6-dimethoxynaphthalene
Molecular FormulaC12H12O2
Molecular Weight188.22
XLogP3.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey
AHKDVDYNDXGFPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethoxynaphthalene
CAS: 5486-55-5
CID: 79627
Formula: C12H12O2
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass188.083729621
Monoisotopic Mass188.083729621
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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