5-Methylpicene
Basic information
- CAS
7499-40-3- Standard SMILES
Cc1cc2c(ccc3c4ccccc4ccc32)c2ccccc12- InChIKey
BPYUWRZFGNLIRP-UHFFFAOYSA-N- Molecular formula
- C23H16
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.12520051
Names & identifiers
- Preferred name
- 5-Methylpicene
- IUPAC
- 5-methylpicene
- English name
- 5-Methylpicene
- Molecular formula
- C23H16
- Molecular weight
- 292.37
Names & synonyms
5-methylpicene7499-40-3Picene, 5-methyl-NSC407653SCHEMBL31235727DTXSID80324756NSC-407653DB-219576
Database identifiers
- CAS
7499-40-3- PubChem CID
- 348380
- DTXSID
DTXSID80324756- Nikkaji
- J344.869J
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 535 · 535.0±17.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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