4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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![4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ca04f8e0a0cf416bafa13344f0d95735.png "4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid")
4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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CAS No:
6270-88-8
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Formula:
C21H22O8
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Chemical Name:
4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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Synonyms:
MLS002607967;6270-88-8;NSC36362;DTXSID80284260;HMS3085C19;NSC-36362;SMR001526725;4-(Benzo[d][1,4,5-trimethoxybenzyl)butanoic acid
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CAS No:
4-(1,3-benzodioxol-5-yl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Basic Attributes
402.4 g/mol
402.13146766 g/mol
36362
DTXSID80284260
Computed Properties
Molecular Weight:402.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:402.13146766
Monoisotopic Mass:402.13146766
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:553
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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