3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene
14-oxahexacyclo[10.7.2.02,7.08,21.013,15.016,20]henicosa-1(20),2,4,6,8(21),9,11,16,18-nonaene
Also Known As: Benzo(e)pyrene 4,5-oxide|NIOSH/DJ5051500|4,5-Dihydro-4,5-epoxybenzo(e)pyrene|3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene|Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-|Benzo(9,10)pyreno(4,5-b)oxirene, 3b,4a-dihydro-|3b,4a-dihydrobenzo[9,10]pyreno[4,5-b]oxirene
CAS: 71207-06-2
| Molecular Formula | C20H12O |
|---|---|
| Molecular Weight | 268.0888 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0888 |
| Monoisotopic Mass | 268.0888 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 71207-06-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC=C3)C5C(O5)C6=CC=CC(=C64)C2=C1 |
| InChIKey | UOOBFMOYDHLMRB-UHFFFAOYSA-N |
Product Overview
3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene (CAS 71207-06-2), with molecular formula C20H12O and molecular weight 268.0888 g/mol. IUPAC: 14-oxahexacyclo[10.7.2.02,7.08,21.013,15.016,20]henicosa-1(20),2,4,6,8(21),9,11,16,18-nonaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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