3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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![3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c8963f8bc2f843618acfa90626c5c2a1.png "3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid")
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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CAS No:
331256-70-3
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Formula:
C15H16N2O6
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Chemical Name:
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid
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Synonyms:
ZINC1811703;STL512554;AKOS030488103;SR-01000362746;SR-01000362746-1;N-[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-beta-alanine;331256-70-3
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CAS No:
3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid Basic Attributes
320.30 g/mol
320.10083623 g/mol
Computed Properties
Molecular Weight:320.30
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:320.10083623
Monoisotopic Mass:320.10083623
Topological Polar Surface Area:114
Heavy Atom Count:23
Complexity:504
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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