(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol
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![(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/315657ce24734ce5b46db44cc479f755.png "(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol")
(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol
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CAS No:
119087-38-6
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Formula:
C20H13NO4
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Chemical Name:
(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol
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Synonyms:
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-;119087-38-6;4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol cis-;DTXSID60152312
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CAS No:
(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol Basic Attributes
331.3 g/mol
331.08445790 g/mol
DTXSID60152312
Computed Properties
Molecular Weight:331.3
XLogP3:3.6
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:548
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol
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