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6-Acetoxymethylbenzo(a)Pyrene
[CAS# 42978-43-8]

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CAS#: 42978-43-8
Product: 6-Acetoxymethylbenzo(a)Pyrene
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Identification
Name 6-Acetoxymethylbenzo(a)Pyrene
Synonyms Acetic Acid 6-Benzo[B]Pyrenylmethyl Ester; Acetic Acid Benzo[B]Pyren-6-Ylmethyl Ester; Benzo[B]Pyren-6-Ylmethyl Ethanoate
Molecular Structure CAS#: 42978-43-8, 6-Acetoxymethylbenzo(a)Pyrene
Molecular Formula C23H16O2
Molecular Weight 324.38
CAS Registry Number 42978-43-8
SMILES C1=CC4=C3C2=C1C5=C(C(=C2C=CC3=CC=C4)COC(C)=O)C=CC=C5
InChI 1S/C23H16O2/c1-14(24)25-13-21-18-8-3-2-7-17(18)19-11-9-15-5-4-6-16-10-12-20(21)23(19)22(15)16/h2-12H,13H2,1H3
InChIKey AIXMKWLMVGVTGG-UHFFFAOYSA-N
Properties
Density 1.303g/cm3 (Cal.)
Boiling point 527.839°C at 760 mmHg (Cal.)
Flash point 211.134°C (Cal.)
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