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2-Oxo-2H-1-Benzopyran-3-Carboxylicacid Ethyl Ester
[CAS# 1846-76-0]

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Identification
Classification Chemical reagent >> Organic reagent >> Bicyclic compound
Name 2-Oxo-2H-1-Benzopyran-3-Carboxylicacid Ethyl Ester
Synonyms 2-Oxo-3-Chromenecarboxylic Acid Ethyl Ester; 2-Ketochromene-3-Carboxylic Acid Ethyl Ester; Coumarin-3-Carboxylic Acid Ethyl Ester
Molecular Structure CAS#: 1846-76-0, 2-Oxo-2H-1-Benzopyran-3-Carboxylicacid Ethyl Ester
Molecular Formula C12H10O4
Molecular Weight 218.21
CAS Registry Number 1846-76-0
SMILES C1=C2C(=CC=C1)OC(=O)C(=C2)C(OCC)=O
InChI 1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 92-95°C (Expl.)
Boiling point 378.0±30.0°C at 760 mmHg (Cal.)
Flash point 195.6±23.0°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) I. I. Padilla-Martínez, E. V. García-Báez, H. Höpfl and F. J. I. Martínez-Martínez. 2-Amino-1,3-benzothiazole-ethyl coumarin-3-carboxylate (1/1), Acta Cryst. (2003). C59, o544-o546 
Market Analysis Reports
List of Reports Available for 2-Oxo-2H-1-Benzopyran-3-Carboxylicacid Ethyl Ester
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