(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol
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![(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/84d5dd23479c44e59c41e50fb0183a4a.png "(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol")
(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol
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CAS No:
97576-08-4
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Formula:
C20H13NO4
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Chemical Name:
(7S,8S)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol
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Synonyms:
3-nitrobenzo(a)pyrene-trans-7,8-dihydrodiol;97576-08-4;trans-7,8-Dihydro-3-nitrobenzo(a)pyrene-7,8-diol;CCRIS 2728;TRANS-7,8-DIHYDRO-3-NITROBENZO[A]PYRENE-7,8-DIOL;3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol;Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, trans-;DTXSID30913816;Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, (7R,8R)-rel-;3-Nitro-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol
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CAS No:
Computed Properties
Molecular Weight:331.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:331.08445790
Monoisotopic Mass:331.08445790
Topological Polar Surface Area:86.3
Heavy Atom Count:25
Complexity:587
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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