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Home > Encyclopedia > 2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one

2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one

2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one structure

2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one 

structure
  • CAS No:

    63937-27-9

  • Formula:

    C12H17NO3

  • Chemical Name:

    2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one

  • Synonyms:

    2-Allyl-3-methyl-4-(dimethylaminocarbonyloxy)-2-cyclopenten-1-one

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

Toxicity

highly toxic

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

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