(Z)-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobut-2-enoic acid
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(Z)-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobut-2-enoic acid
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CAS No:
294634-37-0
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Formula:
C12H11NO5
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Chemical Name:
(Z)-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobut-2-enoic acid
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Synonyms:
(2Z)-4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobut-2-enoic acid;294634-37-0;HMS1652C06;(Z)-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobut-2-enoic acid;STL024423;AKOS002268788;ZINC100384600;AB00117035-01;AB00117035-02;SR-01000241752;SR-01000241752-1;F1053-0513;(Z)-4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-4-oxobut-2-enoic acid
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CAS No:
(Z)-4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobut-2-enoic acid Basic Attributes
249.22 g/mol
249.06372245 g/mol
Computed Properties
Molecular Weight:249.22
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:249.06372245
Monoisotopic Mass:249.06372245
Topological Polar Surface Area:84.9
Heavy Atom Count:18
Complexity:354
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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