3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid
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3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid
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CAS No:
68658-46-8
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Formula:
C13H14O6
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Chemical Name:
3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid
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Synonyms:
NSC195957;68658-46-8;SCHEMBL14632222;DTXSID00307864;NSC-195957;DS-007324;methyl 2-carboxymethyl-3-(3,4-methylenedioxyphenyl)propionate;BUTANEDIOIC ACID,2-(1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER
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CAS No:
3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid Basic Attributes
266.25 g/mol
266.07903816 g/mol
195957
DTXSID00307864
Computed Properties
Molecular Weight:266.25
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:266.07903816
Monoisotopic Mass:266.07903816
Topological Polar Surface Area:82.1
Heavy Atom Count:19
Complexity:342
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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