Basic information
- CAS
15131-84-7- Standard SMILES
c1ccc2c(c1)-c1ccc3ccccc3c1C1OC21- InChIKey
VYYARLZUMSKDPQ-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Names & identifiers
- Preferred name
- 1a,11b-Dihydrochryseno(5,6-b)oxirene
- IUPAC
- 3-oxapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
- English name
- chrysene-5,6-oxide
- Molecular formula
- C18H12O
- Molecular weight
- 244.29
Names & synonyms
Chrysene-5,6-oxideChrysene, K-region epoxide15131-84-7RefChem:9083071a,11b-Dihydrochryseno(5,6-b)oxireneChrysene 5,6-oxideChrysene-5,6-epoxide5,6-Epoxy-5,6-dihydrochrysene1a,11c-Dihydrochryseno(5,6-b)oxirene1a,11c-dihydrochryseno[5,6-b]oxireneCCRIS 886Chrysene 5,6-epoxide
Show more names
Chrysene K-region eopxideChryseno[5,6-b]oxirene, 1a,11b-dihydro-
BRN 1316420Chryseno(5,6-b)oxirene, 1a,11c-dihydro-CHRYSENE, 5,6-EPOXY-5,6-DIHYDRO-DTXSID309342285-17-02-00470 (Beilstein Handbook Reference)
Database identifiers
- CAS
15131-84-7- PubChem CID
- 27062
- DTXSID
DTXSID30934228- Nikkaji
- J3.131C
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- Melting point
- 250 °C · >250 °C
- Boiling point
- 327.21 °C · 327.21°C (rough estimate)
- Density
- 1.129 · 1.1290 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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