Benzo(a)pyren-6-ol, 7,8-dihydro-, acetate

Base Information

• Chemical Name: Benzo(a)pyren-6-ol, 7,8-dihydro-, acetate
• CAS No.: 56288-58-5
• Molecular Formula: C₂₂H₁₆O₂
• Molecular Weight: 312.368
• DSSTox Substance ID: DTXSID70204831
• Wikidata: Q83078298

Synonyms:6-Acetoxy-7,8-dihydrobenzopyrene;Benzo(a)pyren-6-ol, 7,8-dihydro-, acetate;56288-58-5;DTXSID70204831

Chemical Property of Benzo(a)pyren-6-ol, 7,8-dihydro-, acetate

Chemical Property:

• Vapor Pressure: 6.27E-11mmHg at 25°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 312.115029749
• Heavy Atom Count: 24
• Complexity: 538

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Useful:

• Canonical SMILES: CC(=O)OC1=C2CCC=CC2=C3C=CC4=C5C3=C1C=CC5=CC=C4

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