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9-Hydroxybenzo(a)Pyrene
[CAS# 17573-21-6]

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Identification
Name 9-Hydroxybenzo(a)Pyrene
Synonyms 9-Benzo[A]Pyrenol; 9-Hydroxybenzo[A]Pyrene; C14556
Molecular Structure CAS#: 17573-21-6, 9-Hydroxybenzo(a)Pyrene
Molecular Formula C20H12O
Molecular Weight 268.31
CAS Registry Number 17573-21-6
SMILES C1=C(O)C=CC2=C1C5=C3C(=C2)C=CC4=CC=CC(=C34)C=C5
InChI 1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
InChIKey OBBBXCAFTKLFGZ-UHFFFAOYSA-N
Properties
Density 1.379g/cm3 (Cal.)
Boiling point 527.227°C at 760 mmHg (Cal.)
Flash point 252.929°C (Cal.)
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