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Home > Encyclopedia > 1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate

1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate

1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate structure

1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate 

structure
  • CAS No:

    34627-78-6

  • Formula:

    C12H12O4

  • Chemical Name:

    1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate

  • Synonyms:

    1,3-Benzodioxole-5-methanol,α-ethenyl-,5-acetate;1,3-Benzodioxole-5-methanol,α-ethenyl-,acetate;1′-Acetoxysafrole;1-(1,3-Benzodioxol-5-yl)prop-2-enyl acetate;1-(Benzo[d][1,3]dioxol-5-yl)allyl acetate;91511-74-9

1,3-Benzodioxole-5-methanol, α-ethenyl-, 5-acetate Basic Attributes

220.223

220.22

DTXSID5039226

Characteristics

44.8

2.5

1.2313 (rough estimate)

Flammable; decomposes by heating to release irritating fumes

Safety Information

Warehouse ventilated, low temperature and dry

Drug Information

1'-acetoxysafrole

Computed Properties

Molecular Weight:220.22
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:220.07355886
Monoisotopic Mass:220.07355886
Topological Polar Surface Area:44.8
Heavy Atom Count:16
Complexity:276
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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