2-Benzofuranpropanoicacid, β-oxo-, ethyl ester supplier

Name
ETHYL 3-BENZOFURAN-2-YL-3-OXO-PROPIONATE
EINECS
CAS No. 78917-44-9
Article Data9
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂O₄
Boiling Point 329.8 °C at 760 mmHg
Molecular Weight 232.236
Flash Point 153.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl3-(benzofuran-2-yl)-3-oxopropionate;
PSA 56.51000
LogP 2.56870

2-Benzofuranpropanoicacid, β-oxo-, ethyl ester Specification

The 2-Benzofuranpropanoicacid, β-oxo-, ethyl ester is an organic compound with the formula C₁₃H₁₂O₄. The systematic name of this chemical is ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate. With the CAS registry number 78917-44-9, it is also named as ethyl 3-(benzo[b]furan-2-yl)-3-oxopropanoate.

Physical properties about 2-Benzofuranpropanoicacid, β-oxo-, ethyl ester are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.26; (5)ACD/BCF (pH 7.4): 33.83; (6)ACD/KOC (pH 5.5): 436.71; (7)ACD/KOC (pH 7.4): 431.24; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.51 Å²; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 62.09 cm³; (13)Molar Volume: 190.8 cm³; (14)Polarizability: 24.61×10^-24cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.216 g/cm³; (17)Flash Point: 153.3 °C; (18)Enthalpy of Vaporization: 57.24 kJ/mol; (19)Boiling Point: 329.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000173 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CC(=O)c1cc2ccccc2o1
(2)InChI: InChI=1/C13H12O4/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3
(3)InChIKey: DBSJYHCDGBZOEP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H12O4/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3
(5)Std. InChIKey: DBSJYHCDGBZOEP-UHFFFAOYSA-N

Product Name

ETHYL 3-BENZOFURAN-2-YL-3-OXO-PROPIONATE

2-Benzofuranpropanoicacid, β-oxo-, ethyl ester Specification

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