3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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![3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c39b533d614a482f9b8c5988fd0f42b0.png "3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid")
3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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CAS No:
53899-46-0
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Formula:
C26H30O9
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Chemical Name:
3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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Synonyms:
oxyphysodic acid;Oxyphysodic acid;53899-46-0;Physodol;3-Hydroxyphysodic acid;CHEMBL2272212;SCHEMBL17988183;ACon1_002088;DTXSID00202163;CHEBI:144154;ZINC14654306;NCGC00179843-01;BRD-K49087883-001-01-5;11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,8-trihydroxy-1-(2-oxoheptyl)-6-pentyl-
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CAS No:
3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid Basic Attributes
486.5 g/mol
486.18898253 g/mol
DTXSID00202163
Computed Properties
Molecular Weight:486.5
XLogP3:5.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:486.18898253
Monoisotopic Mass:486.18898253
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:740
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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