(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
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![(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0791129a8fea4fda97c48970a598abb1.png "(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid")
(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
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CAS No:
120090-82-6
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Formula:
C22H20O8
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Chemical Name:
(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
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Synonyms:
thuriferic acid;Thuriferic acid;NSC627278;120090-82-6;DTXSID70923217;NSC-627278;NCI60_008665;7-Methylidene-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid
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CAS No:
(7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid Basic Attributes
412.4 g/mol
412.11581759 g/mol
627278
Computed Properties
Molecular Weight:412.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:412.11581759
Monoisotopic Mass:412.11581759
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:679
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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