Basic information
- CAS
879-12-9- Standard SMILES
Cc1cc2ccccc2c(C)c1C- InChIKey
RQHPYGROUIBUSW-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1,2,3-Trimethylnaphthalene
- IUPAC
- 1,2,3-trimethylnaphthalene
- English name
- 1,2,3-Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,2,3-Trimethylnaphthalene879-12-9Naphthalene, 1,2,3-trimethyl-QH7X7QUT4ZDTXSID00236685RefChem:1052022DTXCID30159176212-902-3Naphthalene, 2,3,4-trimethylEINECS 212-902-31,2,3-trimethyl-naphthaleneSCHEMBL459684
Show more names
SCHEMBL718918SCHEMBL814247SCHEMBL28481887AKOS006273908NS00039229
Database identifiers
- CAS
879-12-9- PubChem CID
- 70145
- DTXSID
DTXSID00236685- UNII
- QH7X7QUT4Z
- EC Number
- 212-902-3
- Nikkaji
- J195.172F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 28 °C · 28°C
- Boiling point
- 269.91 °C · 269.91°C (estimate)
- Density
- 1.0006 · 1.0006 (estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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