(9S,10R)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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(9S,10R)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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CAS No:
91484-89-8
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Formula:
C20H13NO4
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Chemical Name:
(9S,10R)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol
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Synonyms:
91484-89-8;DTXSID40919703;6-Nitro-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol;(9S,10R)-6-Nitro-9,10-dihydrobenzo(b)pyrene-9,10-diol
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CAS No:
(9S,10R)-6-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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