5-(Acetylamino)-4-oxo-5-hexenamide
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5-(Acetylamino)-4-oxo-5-hexenamide
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CAS No:
3750-26-3
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Formula:
C8H12N2O3
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Chemical Name:
5-(Acetylamino)-4-oxo-5-hexenamide
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Synonyms:
Primocarcin;UNII-DD0O1I61Y2;5-(Acetylamino)-4-oxo-5-hexenamide;4-Acetamido-4-penten-3-one-1-carboxamide;5-HEXENAMIDE, 5-ACETAMIDO-4-OXO-;NSC525602;NSC 525602;BRN 2415620;5-Hexenamide, 5-(acetylamino)-4-oxo-;DD0O1I61Y2
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CAS No:
5-(Acetylamino)-4-oxo-5-hexenamide Basic Attributes
184.195
184.085
DD0O1I61Y2
525602
DTXSID80190953
Characteristics
89.3
-1.3
1.2596 (rough estimate)
130-131°
LD50 in mice (mg/kg): 50-60 i.p.; 300 i.v. (Isono, Suzuki)
Computed Properties
Molecular Weight:184.19
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:184.08479225
Monoisotopic Mass:184.08479225
Topological Polar Surface Area:89.3
Heavy Atom Count:13
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-(Acetylamino)-4-oxo-5-hexenamide
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