9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
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![9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6f347042710744959ea267802ec9b376.png "9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid")
9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
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CAS No:
489-49-6
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Formula:
C20H18O9
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Chemical Name:
9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
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Synonyms:
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid,9-(ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-;Isophthalaldehydic acid,2-[(3-carboxy-α5-ethoxy-4,6-dihydroxy-2,5-xylyl)oxy]-4-hydroxy-6-methyl-,ε-lactone;9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid;Cetraric acid;Cetrarin;Stictin;1398-53-4
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CAS No:
9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Basic Attributes
402.35152
402.35
207-697-2
38E6XBV79E
DTXSID10197632
Computed Properties
Molecular Weight:402.4
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:402.09508215
Monoisotopic Mass:402.09508215
Topological Polar Surface Area:140
Heavy Atom Count:29
Complexity:637
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
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