(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
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![(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d2769c2a16f8456284f4cb33a8f23cfa.png "(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol")
(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
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CAS No:
120014-72-4
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Formula:
C20H15NO4
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Chemical Name:
(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
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Synonyms:
120014-72-4;1-Nitro-9,10-dihydrobenzo(a)pyren-7(8H)-one;Benzo(a)pyren-7(8H)-one, 9,10-dihydro-1-nitro-;DTXSID40923183;trans-1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8-diol;Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-1-nitro-, trans-;120014-82-6;1-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8-diol
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CAS No:
(7S,8S)-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol Basic Attributes
333.3 g/mol
333.10010796 g/mol
Computed Properties
Molecular Weight:333.3
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:333.10010796
Monoisotopic Mass:333.10010796
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
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