(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
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![(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aef561586f334b46b5f3e3f04a25e547.png "(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol")
(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
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CAS No:
87771-55-9
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Formula:
C21H16O3
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Chemical Name:
(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
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Synonyms:
9-MDD-benzo(a)pyrene;9-methoxy-4,5-dihydrobenzo(a)pyrene-4,5-diol;9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene;87771-55-9;9-Mdd-benzo(a)pyrene;9-Methoxy-4,5-dihydrobenzo(a)pyrene-4,5-diol;9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene;DTXSID701007785;9-Methoxy-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol;Benzo(a)pyrene-4,5-diol, 4,5-dihydro-9-methoxy-, trans-
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CAS No:
(4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol Basic Attributes
316.3 g/mol
316.109944368 g/mol
Computed Properties
Molecular Weight:316.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:316.109944368
Monoisotopic Mass:316.109944368
Topological Polar Surface Area:49.7
Heavy Atom Count:24
Complexity:480
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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