3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid
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3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid
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CAS No:
93515-31-2
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Formula:
C10H8O4S
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Chemical Name:
3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid
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Synonyms:
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-;93515-31-2;ACMC-20lxpp;DTXSID90296359;MCULE-2381070965
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CAS No:
3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid Basic Attributes
224.23 g/mol
224.01432991 g/mol
DTXSID90296359
Computed Properties
Molecular Weight:224.23
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:224.01432991
Monoisotopic Mass:224.01432991
Topological Polar Surface Area:56.8
Heavy Atom Count:15
Complexity:289
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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