3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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![3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/df81961731ef4a43829ea833cc3bfc02.png "3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid")
3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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CAS No:
73927-67-0
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Formula:
C25H30O8
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Chemical Name:
3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
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Synonyms:
73927-67-0;11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 3,8-dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-;DTXSID60224548;3,8-Dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
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CAS No:
3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid Basic Attributes
458.5 g/mol
458.19406791 g/mol
DTXSID60224548
Computed Properties
Molecular Weight:458.5
XLogP3:6.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:458.19406791
Monoisotopic Mass:458.19406791
Topological Polar Surface Area:123
Heavy Atom Count:33
Complexity:640
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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