(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
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(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
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CAS No:
112150-35-3
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Formula:
C12H11NO5
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Chemical Name:
(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
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Synonyms:
112150-35-3;2-Acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid;MLS000713957;SCHEMBL9837231;CHEMBL1568665;HMS1452M20;HMS2647G12;ZINC128304;CCG-52200;SPB 08079;STL558391;AKOS000288288;IDI1_018985;SMR000273438;ST50237890;AB00089121-01;SR-01000641448-1;(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid;(2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-(acetylamino)prop-2-enoic acid
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CAS No:
(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid Basic Attributes
249.22 g/mol
249.06372245 g/mol
Computed Properties
Molecular Weight:249.22
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:249.06372245
Monoisotopic Mass:249.06372245
Topological Polar Surface Area:84.9
Heavy Atom Count:18
Complexity:379
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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