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55097-80-8

Name 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
CAS 55097-80-8
Molecular Formula C20H14O3
MDL Number MFCD00871186
Molecular Weight 302.32
MOL File 55097-80-8.mol
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Chemical Properties

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
InChIKey DQEPMTIXHXSFOR-UHFFFAOYSA-N
SMILES O1C2C3=C(C(O)C(O)C12)C=C1C=CC2=C4C1=C3C=CC4=CC=C2

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