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Benzo(a)pyrene-3,6-diol
[CAS# 63148-10-7]

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CAS#: 63148-10-7
Product: Benzo(a)pyrene-3,6-diol
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Identification
Name Benzo(a)pyrene-3,6-diol
Synonyms 3,6-Dihydroxybenzo(A)Pyrene; Bp-3,6-Quinol; Benzo(A)Pyrene-3,6-Diol
Molecular Structure CAS#: 63148-10-7, Benzo(a)pyrene-3,6-diol
Molecular Formula C20H12O2
Molecular Weight 284.31
CAS Registry Number 63148-10-7
SMILES C1=CC5=C4C2=C(C3=C(C(=C12)O)C=CC=C3)C=CC4=CC=C5O
InChI 1S/C20H12O2/c21-17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22)16-9-8-15(17)18(11)19(13)16/h1-10,21-22H
InChIKey MNYTULBCYDHGOF-UHFFFAOYSA-N
Properties
Density 1.473g/cm3 (Cal.)
Boiling point 589.098°C at 760 mmHg (Cal.)
Flash point 287.743°C (Cal.)
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