4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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![4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ce7e62e3c9a743daa19d94cda15f149c.png "4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid")
4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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CAS No:
6936-07-8
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Formula:
C22H24O8
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Chemical Name:
4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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Synonyms:
6936-07-8;NSC36371;4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-(3,4,5-trimethoxybenzyl)butanoic acid;SCHEMBL16212337;DTXSID60284263;NSC-36371;4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
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CAS No:
4-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Basic Attributes
416.4 g/mol
416.14711772 g/mol
36371
DTXSID60284263
Computed Properties
Molecular Weight:416.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:416.14711772
Monoisotopic Mass:416.14711772
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:582
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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