7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
- CAS NO.：55097-80-8
- Empirical Formula: C20H14O3
- Molecular Weight: 302.32
- MDL number: MFCD00871186
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-09-05 11:06:02
What is 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide?
Definition
ChEBI: Benzo[a]pyrene diol epoxide I is an epoxide. It has a role as an intercalator. It derives from a hydride of a benzo[a]pyrene.
Properties of 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
| Boiling point: | 594.2±50.0 °C(Predicted) |
| Density | 1.569 |
| pka | 13.50±0.40(Predicted) |
| InChI | InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H |
Safety information for 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
Computed Descriptors for 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
| InChIKey | DQEPMTIXHXSFOR-UHFFFAOYSA-N |
| SMILES | O1C2C3=C(C(O)C(O)C12)C=C1C=CC2=C4C1=C3C=CC4=CC=C2 |
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![Benzo[a]pyrene](https://img.chemicalbook.in/CAS/GIF/50-32-8.gif)
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