3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
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![3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3baa7354521948c0a72d3377cf7d650a.png "3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid")
3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
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CAS No:
81801-25-4
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Formula:
C15H20O6
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Chemical Name:
3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
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Synonyms:
81801-25-4;NSC230468;DTXSID60310713;NSC-230468;3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid
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CAS No:
3a-hydroperoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylic acid Basic Attributes
296.31 g/mol
296.12598835 g/mol
230468
DTXSID60310713
Computed Properties
Molecular Weight:296.31
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:296.12598835
Monoisotopic Mass:296.12598835
Topological Polar Surface Area:93.1
Heavy Atom Count:21
Complexity:540
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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