[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
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![[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b2d394e698754e07b774628ddc2a6700.png "[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate")
[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
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CAS No:
119056-58-5
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Formula:
C24H17NO6
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Chemical Name:
[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
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Synonyms:
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-;119056-58-5;4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol diacetate (ester), cis-;DTXSID50152306
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CAS No:
[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate Basic Attributes
415.4 g/mol
415.10558726 g/mol
DTXSID50152306
Computed Properties
Molecular Weight:415.4
XLogP3:4.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:415.10558726
Monoisotopic Mass:415.10558726
Topological Polar Surface Area:98.4
Heavy Atom Count:31
Complexity:749
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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