Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-, (1aS-cis)-
Basic information
- CAS
89618-16-6- Standard SMILES
c1ccc2cc3c4c(ccc3cc2c1)CC[C@@H]1O[C@H]41- InChIKey
BPWAWXRCSBRVLU-WMZOPIPTSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Names & identifiers
- Preferred name
- Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-, (1aS-cis)-
- IUPAC
- (3R,5S)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
- English name
- Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-, (1aS-cis)-
- Molecular formula
- C18H14O
- Molecular weight
- 246.3
Names & synonyms
NIOSH/CX3154150Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-, (1aS-cis)-89618-16-6CX31541500(+)-(1R,2S)-1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthraceneBenz(a)anthracene, 1,2,3,4-tetrahydro-1-beta,2-beta-epoxy-, (+)-DTXSID60237794(1aS-cis)-1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene (1aS-cis)-(1aS,11cR)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene[1R,(+)]-1,2,3,4-Tetrahydro-1β,2β-epoxybenz[a]anthracene[1R,(+)]-1,2,3,4-Tetrahydro-1β,2β-epoxybenzo[a]anthracene
Show more names
[1aS,(+)]-1aα,2,3,11cα-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene
Database identifiers
- CAS
89618-16-6- PubChem CID
- 150246
- DTXSID
DTXSID60237794- Nikkaji
- J74.560J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 460.261 · 460.261±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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