(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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![(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d4b29337ae824dd18a01c1c2bf0147d2.png "(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol")
(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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CAS No:
98151-91-8
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Formula:
C20H13NO4
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Chemical Name:
(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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Synonyms:
trans-9,10-Dihydro-3-nitrobenzo(a)pyrene-9,10-diol;98151-91-8;CCRIS 2727;TRANS-9,10-DIHYDRO-3-NITROBENZO[A]PYRENE-9,10-DIOL;3-Nitrobenzo(a)pyrene-trans-9,10-dihydrodiol;Benzo(a)pyrene-9,10-diol, 9,10-dihydro-3-nitro-, trans-;DTXSID80913422;Benzo(a)pyrene-9,10-diol, 9,10-dihydro-3-nitro-, (9R,10R)-rel-;3-Nitro-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol
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CAS No:
(9S,10S)-3-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Basic Attributes
331.3 g/mol
331.08445790 g/mol
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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