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4-Methoxybenzo(a)Pyrene
[CAS# 56182-99-1]

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Identification
Name 4-Methoxybenzo(a)Pyrene
Synonyms Benzo(A)Pyrene, 4-Methoxy-; 4-Methoxybenzo(A)Pyrene
Molecular Structure CAS#: 56182-99-1, 4-Methoxybenzo(a)Pyrene
Molecular Formula C21H14O
Molecular Weight 282.34
CAS Registry Number 56182-99-1
SMILES C1=C4C3=C2C(=C1OC)C=CC=C2C=CC3=C5C(=C4)C=CC=C5
InChI 1S/C21H14O/c1-22-19-12-15-11-14-5-2-3-7-16(14)17-10-9-13-6-4-8-18(19)20(13)21(15)17/h2-12H,1H3
InChIKey CNVYLULNAHQNNC-UHFFFAOYSA-N
Properties
Density 1.283g/cm3 (Cal.)
Boiling point 498.57°C at 760 mmHg (Cal.)
Flash point 206.394°C (Cal.)
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