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2-methoxy-6-methylnaphthalene

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CAS Number
26386-94-7
MDL Number
MFCD11870261
Smiles
C1c (cc2c (c1) cc (cc2) OC) C

Chemical Information

2-Methoxy-6-methylnaphthalene
CAS Number26386-94-7
PubChem CID11019329
IUPAC Name2-methoxy-6-methylnaphthalene
Molecular FormulaC12H12O
Molecular Weight172.22
XLogP3.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity167
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C12H12O/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9/h3-8H,1-2H3
InChIKey
JWXYEXKKOMBZBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-6-methylnaphthalene
CAS: 26386-94-7
CID: 11019329
Formula: C12H12O
MW: 172.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.22
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass172.088815002
Monoisotopic Mass172.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity167
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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Alternative Products

CatalogName
TRC-M341665-100MG2-Methoxy-3-methylnaphthalene
QIA95881-016-Methylnaphthalene-2-sulfonamide
416217-012-Bromo-6-methylnaphthalene
AP KC 0003-012-chloro-8-methoxy-6-methylnaphthalene-1,4-dione
24821-54-3-011-Methoxy-4-methylnaphthalene
NEA44362-01N-methoxy-n-methylnaphthalene-2-carboxamide
BAA87572-016-Methylnaphthalene-2-sulfonyl chloride
BW GA 0112-012-methoxy-3-methylnaphthalene-1,4-dione
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