2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one
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2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one
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CAS No:
63937-27-9
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Formula:
C12H17NO3
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Chemical Name:
2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one
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Synonyms:
2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one
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CAS No:
2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one Basic Attributes
223.27
223.120843
Characteristics
46.6
1.1223 (rough estimate)
Oral-rat LD50: 53.2 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:223.27
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:223.12084340
Monoisotopic Mass:223.12084340
Topological Polar Surface Area:46.6
Heavy Atom Count:16
Complexity:367
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one
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