Basic information
- CAS
61413-39-6- Standard SMILES
COc1cc2ccccc2c2ccc3ccccc3c12- InChIKey
SSPVNLSBRPPPGN-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 5-Methoxychrysene
- IUPAC
- 5-methoxychrysene
- English name
- 5-Methoxychrysene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
5-MethoxychryseneCHRYSENE, 5-METHOXY-61413-39-6BRN 2532031SCHEMBL16909758SCHEMBL25622471DTXSID20210346
Database identifiers
- CAS
61413-39-6- PubChem CID
- 43637
- DTXSID
DTXSID20210346- Nikkaji
- J69.540H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 142.5 °C · 142.5°C
- Boiling point
- 341.57 °C · 341.57°C (rough estimate)
- Density
- 1.122 · 1.1220 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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