Basic information
- CAS
4466-76-6- Standard SMILES
O=Cc1cc2ccc3ccccc3c2c2ccccc12- InChIKey
WIZKHVAHCCDUKT-UHFFFAOYSA-N- Molecular formula
- C19H12O
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.088815
Names & identifiers
- Preferred name
- Benzo[c]phenanthrene-5-carbaldehyde
- IUPAC
- benzo[c]phenanthrene-5-carbaldehyde
- English name
- Benzo[c]phenanthrene-5-carbaldehyde
- Molecular weight
- 0
Names & synonyms
benzo[c]phenanthrene-5-carbaldehyde4466-76-6BENZO(c)PHENANTHRENE-8-CARBOXALDEHYDEBRN 25817952-Formyl-3:4-benzphenanthreneSCHEMBL10348693DTXSID50196265
Database identifiers
- CAS
4466-76-6- PubChem CID
- 20536
- DTXSID
DTXSID50196265- Nikkaji
- J36.041D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 359.54 °C · 359.54°C (rough estimate)
- Density
- 1.086 · 1.0860 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…