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1,6-Dimethoxynaphthalene

CAT: 0063-85048069Size: 5 gDry Ice: NoHazardous: No
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CAT#:0063-85048069Size:5 g
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CAS Number
3900-49-0

Chemical Information

1,6-Dimethoxynaphthalene
CAS Number3900-49-0
PubChem CID296916
IUPAC Name1,6-dimethoxynaphthalene
Molecular FormulaC12H12O2
Molecular Weight188.22
XLogP3.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
COC1=CC2=C(C=C1)C(=CC=C2)OC
InChI
InChI=1S/C12H12O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3
InChIKey
RBUFUWIWCCOVOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Dimethoxynaphthalene
CAS: 3900-49-0
CID: 296916
Formula: C12H12O2
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP33.6
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
Complexity181
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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