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1,3-Cyclobutanedione
[CAS 15506-53-3]

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Identification
Name 1,3-Cyclobutanedione
Synonyms Cyclobutane-1,3-Quinone; 1,3-Cyclobutanedione
Molecular Structure CAS#: 15506-53-3, 1,3-Cyclobutanedione
Molecular Formula C4H4O2
Molecular Weight 84.07
CAS Registry Number 15506-53-3
SMILES O=C1CC(C1)=O
InChI 1S/C4H4O2/c5-3-1-4(6)2-3/h1-2H2
InChIKey PZQGSZRQKQZCOJ-UHFFFAOYSA-N
Properties
Density 1.314g/cm3 (Cal.)
Boiling point 226.855°C at 760 mmHg (Cal.)
Flash point 82.24°C (Cal.)
References
(1) Maikel Wijtmans, Frédéric Denonne, Sylvain Célanire, Michel Gillard, Saskia Hulscher, Christel Delaunoy, Nathalie Van houtvin, Remko A. Bakker, Sabine Defays, Julien Gérard, Luc Grooters, Delphine Hubert, Henk Timmerman, Rob Leurs, Patrice Talaga, Iwan J. P. de Esch and Laurent Provins. Histamine H receptor ligands with a 3-cyclobutoxy motif: a novel and versatile constraint of the classical 3-propoxy linker, Med. Chem. Commun., 2010, 1, 39.
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