alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]
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alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]
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CAS No:
78128-80-0
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Formula:
C8H12O3
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Chemical Name:
alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]
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Synonyms:
BRN 5424714;2(5H)FURANONE, 3-BUTYL-4-HYDROXY-;3-Butyl-4-hydroxy-2(5H)furanone;alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German];alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid;DTXSID10228778;3-Butyl-4-hydroxy-2(5H)-furanone;ZINC111378258;LS-70333
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CAS No:
alpha-n-Butyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German] Basic Attributes
156.181
156.079
DTXSID10228778
Characteristics
46.5
1.5
1.1280 (rough estimate)
Subcutaneous-mouse LD50: 1750 mg/kg; intravenous-mouse LD50: 1187 mg/kg
Thermal decomposition emits toxic and spicy irritating smoke
Computed Properties
Molecular Weight:156.18
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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