3,9-Dimethylphenanthrene
Basic information
- CAS
66291-32-5- Standard SMILES
Cc1ccc2cc(C)c3ccccc3c2c1- InChIKey
MXXOWAVGWFQJHQ-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 3,9-Dimethylphenanthrene
- IUPAC
- 3,9-dimethylphenanthrene
- English name
- 3,9-Dimethylphenanthrene
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
3,9-dimethylphenanthrene66291-32-5Phenanthrene,3,9-dimethyl-Phenanthrene, 3,9-dimethyl-SCHEMBL8562301DTXSID70984848MXXOWAVGWFQJHQ-UHFFFAOYSA-N3,9-Dimethylphenanthrene in isooctane
Database identifiers
- CAS
66291-32-5- PubChem CID
- 92373
- DTXSID
DTXSID70984848- Nikkaji
- J672.098F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 62 °C · 62 °C(Solv: methanol (67-56-1))
- Boiling point
- 144 · 144-148 °C(Press: 2 Torr)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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