Benzo[a]pyrene 4,5-oxide
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Benzo[a]pyrene 4,5-oxide
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CAS No:
37574-47-3
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Formula:
C20H12O
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Chemical Name:
Benzo[a]pyrene 4,5-oxide
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Synonyms:
Benzo[1,2]pyreno[4,5-b]oxirene,3b,4a-dihydro-;3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene;Benzo[a]pyrene 4,5-oxide;Benzo[a]pyrene 4,5-epoxide;Benzopyrene 4,5-epoxide;4,5-Dihydrobenzo[a]pyrene 4,5-oxide;(±)-Benzo[a]pyrene 4,5-epoxide;(±)-Benzo[a]pyrene 4,5-oxide;64437-52-1
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CAS No:
Characteristics
12.5
4.7
1.0921 (rough estimate)
mmo-sat 250 ng/plate ENMUDM 7,839,85
Flammable; burning produces irritating fumes
Drug Information
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)
Benzo[a]pyrene-4,5-epoxide is a known human metabolite of Benzo[a]pyrene.
3b,4a-dihydrobenzo(1,2)pyreno(4,5-b)oxirene
Computed Properties
Molecular Weight:268.3
XLogP3:4.7
Hydrogen Bond Acceptor Count:1
Exact Mass:268.088815002
Monoisotopic Mass:268.088815002
Topological Polar Surface Area:12.5
Heavy Atom Count:21
Complexity:445
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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