Basic information
- CAS
63020-32-6- Standard SMILES
CCCc1cc2ccc3ccccc3c2c2ccccc12- InChIKey
QGWIPEGNNFCEEH-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- 5-Propylbenzo[c]phenanthrene
- IUPAC
- 5-propylbenzo[c]phenanthrene
- English name
- 5-Propylbenzo[c]phenanthrene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
5-propylbenzo[c]phenanthrene63020-32-65-Propylbenzo(c)phenanthreneBENZO(c)PHENANTHRENE, 5-PROPYL-BRN 32819552-n-Propyl-3:4-benzphenanthreneDTXSID80212285DB-317807Benzo[c]phenanthrene, 5-propyl-
Database identifiers
- CAS
63020-32-6- PubChem CID
- 44308
- DTXSID
DTXSID80212285- Nikkaji
- J132.041F
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 348.48 °C · 348.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.764 · 1.7640 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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