Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate
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Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate
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CAS No:
96287-38-6
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Formula:
C16H11ClO7
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Chemical Name:
Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate
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Synonyms:
1H-Oxepino[4,3-b][1]benzopyran-1-carboxylic acid,5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-,methyl ester,(1S)-;Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate;Chloromonilicin
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CAS No:
Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate Basic Attributes
350.707
350.71
Computed Properties
Molecular Weight:350.70
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:350.0193304
Monoisotopic Mass:350.0193304
Topological Polar Surface Area:99.1
Heavy Atom Count:24
Complexity:665
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate
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