(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
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![(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/abded70898754662aaf5fd866ad22eb5.png "(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid")
(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
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CAS No:
405898-28-4
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Formula:
C14H17NO5
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Chemical Name:
(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
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Synonyms:
405898-28-4;(2E)-3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid;4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxo-2-butenoic acid;SMR000299186;MLS000626793;MLS001033806;CHEMBL1460557;HMS2665N05;ZINC1605996;(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid;STL011987;AKOS001057968;MS-0065;ST50324861;N-(3,4-DIMETHOXYPHENETHYL)-MALEAMIC ACID;(2E)-3-{N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid;(2E)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid
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CAS No:
(E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid Basic Attributes
279.29 g/mol
279.11067264 g/mol
Computed Properties
Molecular Weight:279.29
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:279.11067264
Monoisotopic Mass:279.11067264
Topological Polar Surface Area:84.9
Heavy Atom Count:20
Complexity:356
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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