1,3,6-Trimethylnaphthalene

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Basic information

CAS: 3031-08-1
Standard SMILES: Cc1ccc2c(C)cc(C)cc2c1
InChIKey: OHJWSORLJAKJEK-UHFFFAOYSA-N
Molecular formula: C13H14
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.10955045

Names & identifiers

Preferred name: 1,3,6-Trimethylnaphthalene
IUPAC: 1,3,6-trimethylnaphthalene

Names & synonyms

1,3,6-TRIMETHYLNAPHTHALENE3031-08-1UKN0OLK7RSDTXSID00184399RefChem:1052627DTXCID60106890221-205-3Naphthalene, 1,3,6-trimethyl-EINECS 221-205-3UNII-UKN0OLK7RSSCHEMBL8743890AKOS006279702

Show more names

NS00047082Q27291120

Database identifiers

CAS: 3031-08-1
PubChem CID: 18197
DTXSID: DTXSID00184399
UNII: UKN0OLK7RS
EC Number: 221-205-3
Nikkaji: J139.614E

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 173

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Compound notes

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