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3-Acetyl-2H-Chromen-2-One
[CAS# 20330-99-8]

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Identification
Name 3-Acetyl-2H-Chromen-2-One
Synonyms 3-Acetyl-2H-chromen-2-one #; 3-acetyl-2H-chromen-2-one (en); 3-Acetylcoumarine
Molecular Structure CAS#: 20330-99-8, 3-Acetyl-2H-Chromen-2-One
Molecular Formula C11H8O3
Molecular Weight 188.18
CAS Registry Number 20330-99-8
SMILES CC(=O)C1=CC2=CC=CC=C2OC1=O
InChI 1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
InChIKey CSPIFKKOBWYOEX-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 119-124°C (Expl.)
Boiling point 391.6±30.0°C at 760 mmHg (Cal.)
Flash point 179.0±24.6°C (Cal.)
Refractive index 1.584 (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) Nicholas E. Leadbeater. In situ reaction monitoring of microwave-mediated reactions using IR spectroscopy, Chem. Commun., 2010, 46, 6693.
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