Basic information
- CAS
64521-16-0- Standard SMILES
c1ccc2cc3c4c(ccc3cc2c1)CCC1OC41- InChIKey
BPWAWXRCSBRVLU-UHFFFAOYSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Names & identifiers
- Preferred name
- 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
- IUPAC
- 4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
- English name
- 1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene
- Molecular formula
- C18H14O
- Molecular weight
- 246.3
Names & synonyms
64521-16-0Tetrahydrobenz(a)anthracene-1,2-epoxide1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthraceneCCRIS 10161,2-EPOXY-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENETetrahydrobenz(a)anthracen-1,2-epoxideBRN 5280437BENZ(a)ANTHRACENE, 1,2,3,4-TETRAHYDRO-1,2-EPOXY-Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-DTXSID509831521a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene1,2,3,4-Tetrahydro-1,2-epoxybenz[a]anthracene
Show more names
Benz[a]anthra[1,2-b]oxirene, 1a,10,11,11a-tetrahydro-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene
Database identifiers
- CAS
64521-16-0- PubChem CID
- 47415
- DTXSID
DTXSID50983152- Nikkaji
- J31.836A
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
- 349.31 °C · 349.31°C (rough estimate)
- Density
- 1.0572 · 1.0572 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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