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1H-2-Benzopyran-1-One
[CAS# 491-31-6]

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Identification
Name 1H-2-Benzopyran-1-One
Synonyms 1-Isochromenone; Isocoumarin; 1H-2-Benzopyran-1-One
Molecular Structure CAS#: 491-31-6, 1H-2-Benzopyran-1-One
Molecular Formula C9H6O2
Molecular Weight 146.15
CAS Registry Number 491-31-6
SMILES C1=CC=CC2=C1C(OC=C2)=O
InChI 1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
Properties
Density 1.248g/cm3 (Cal.)
Boiling point 262.066°C at 760 mmHg (Cal.)
Flash point 103.482°C (Cal.)
References
(1) Andrew C. Tadd, Mark R. Fielding and Michael C. Willis. Palladium-catalyzed aryl halide carbonylation–intramolecular O-enolate acylation: efficient isocoumarin synthesis, including the synthesis of thunberginol A, Chem. Commun., 2009, , 6744.
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