(E)-4-(diethylamino)-4-oxobut-2-enoic acid
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(E)-4-(diethylamino)-4-oxobut-2-enoic acid
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CAS No:
765230-15-7
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Formula:
C8H13NO3
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Chemical Name:
(E)-4-(diethylamino)-4-oxobut-2-enoic acid
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Synonyms:
(E)-4-(diethylamino)-4-oxobut-2-enoic acid;SCHEMBL1395640;SCHEMBL4016170;3-(Diethylcarbamoyl)propenoic acid;765230-15-7;ZINC1959036;AKOS000191931
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CAS No:
Computed Properties
Molecular Weight:171.19
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:171.08954328
Monoisotopic Mass:171.08954328
Topological Polar Surface Area:57.6
Heavy Atom Count:12
Complexity:195
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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