Benzo[a]coronene
Basic information
- CAS
190-70-5- Standard SMILES
c1ccc2c(c1)c1ccc3ccc4ccc5ccc6ccc2c2c6c5c4c3c12- InChIKey
NQSLOOOUQZYGEB-UHFFFAOYSA-N- Molecular formula
- C28H14
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.10955045
Names & identifiers
- Preferred name
- Benzo[a]coronene
- IUPAC
- octacyclo[18.6.2.02,7.08,25.011,24.014,23.017,22.021,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14(23),15,17(22),18,20,27-tetradecaene
- English name
- Benzo[a]coronene
- Molecular formula
- C28H14
- Molecular weight
- 350.41
Names & synonyms
Benzo[a]coroneneBENZO(A)CORONENE190-70-5Benzo-1,2-coroneneDTXSID60172454RefChem:118154DTXCID5094945NQSLOOOUQZYGEB-UHFFFAOYSA-Noctacyclo[18.6.2.02,7.08,25.011,24.014,23.017,22.021,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14(23),15,17(22),18,20,27-tetradecaeneBenzocoroneneSCHEMBL9157679SCHEMBL29613397
Show more names
DB-220157
Database identifiers
- CAS
190-70-5- PubChem CID
- 9114
- DTXSID
DTXSID60172454- Nikkaji
- J488.496E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Melting point
- 292 · 292-294.5 °C(Solv: xylene (1330-20-7))
- Boiling point
- 604.8 · 604.8±22.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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