Benzo[a]pyrene-trans-4,5-dihydrodiol
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![Benzo[a]pyrene-trans-4,5-dihydrodiol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2ca0ed531be349cf990f1dd9f195020e.png "Benzo[a]pyrene-trans-4,5-dihydrodiol")
Benzo[a]pyrene-trans-4,5-dihydrodiol
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CAS No:
37571-88-3
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Formula:
C20H14O2
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Chemical Name:
Benzo[a]pyrene-trans-4,5-dihydrodiol
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Synonyms:
Benzo[a]pyrene-4,5-diol,4,5-dihydro-,(4R,5R)-rel-;Benzo[a]pyrene-4,5-diol,4,5-dihydro-,trans-;rel-(4R,5R)-4,5-Dihydrobenzo[a]pyrene-4,5-diol;trans-4,5-Dihydro-4,5-dihydroxybenzo[a]pyrene;trans-4,5-Dihydroxy-4,5-dihydrobenzo[a]pyrene;trans-Benzo[a]pyrene-4,5-dihydrodiol;trans-4,5-Dihydrobenzo[a]pyrene-4,5-diol;4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol;trans-4,5-Dihydrodiolbenzo[a]pyrene;Benzo[a]pyrene-trans-4,5-dihydrodiol;(±)-Benzo[a]pyrene-trans-4,5-dihydrodiol;50700-50-0
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CAS No:
Characteristics
40.5 Ų
1.1197
210 °C @ Solvent: Chloroform
388.69°C (rough estimate)
1.7580 (estimate)
13.53±0.40
Computed Properties
Molecular Weight:286.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:286.099379685
Monoisotopic Mass:286.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:22
Complexity:435
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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