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6-Formylbenzo(a)Pyrene
[CAS# 13312-42-0]

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Identification
Name 6-Formylbenzo(a)Pyrene
Synonyms 6-Benzo[B]Pyrenecarboxaldehyde; 3,4-Benzpyrene-5-Aldehyde; 3-07-00-02901 (Beilstein Handbook Reference)
Molecular Structure CAS#: 13312-42-0, 6-Formylbenzo(a)Pyrene
Molecular Formula C21H12O
Molecular Weight 280.33
CAS Registry Number 13312-42-0
SMILES C3=CC1=CC=CC2=CC=C4C(=C12)C3=C5C(=C4C=O)C=CC=C5
InChI 1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H
InChIKey JYHGZHPGIQQNJP-UHFFFAOYSA-N
Properties
Density 1.349g/cm3 (Cal.)
Boiling point 526.953°C at 760 mmHg (Cal.)
Flash point 362.729°C (Cal.)
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