1,2,8-Trimethylnaphthalene

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Basic information

CAS: 3876-97-9
Standard SMILES: Cc1ccc2cccc(C)c2c1C
InChIKey: BVGOHNFOXOLDAO-UHFFFAOYSA-N
Molecular formula: C13H14
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.10955045

Names & identifiers

Preferred name: 1,2,8-Trimethylnaphthalene
IUPAC: 1,2,8-trimethylnaphthalene

Names & synonyms

1,2,8-TRIMETHYLNAPHTHALENENaphthalene, 1,2,8-trimethyl-EINECS 223-401-4DTXSID1075062RefChem:71591DTXCID1039555223-401-43876-97-9GU6K2E8TVC1,2,8-tri-methylnaphthaleneSCHEMBL4309825SCHEMBL4310612

Show more names

SCHEMBL5950767SCHEMBL5950773BVGOHNFOXOLDAO-UHFFFAOYSA-NAKOS006279423NS00030458

Database identifiers

CAS: 3876-97-9
PubChem CID: 19753
DTXSID: DTXSID1075062
UNII: GU6K2E8TVC
EC Number: 223-401-4
Nikkaji: J217.729C

Properties

Computed structural properties

XLogP: 4.3
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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