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2-Formyl-3-oxo-propanoic acid ethyl ester

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Name

2-Formyl-3-oxo-propanoic acid ethyl ester

EINECS
CAS No. 80370-42-9 Density 1.143 g/cm3
Solubility Melting Point
Formula C6H8O4 Boiling Point 181.475 °C at 760 mmHg
Molecular Weight 144.13 Flash Point 67.423 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 80370-42-9 (Propanoic acid,2-formyl-3-oxo-, ethyl ester) Hazard Symbols
Synonyms

(Ethoxycarbonyl)malonaldehyde;2-Formyl-3-oxopropanoic acid ethylester;Ethyl 2,2-diformylacetate;Ethyl 2-formyl-3-oxopropanoate;

 

2-Formyl-3-oxo-propanoic acid ethyl ester Specification

The 2-Formyl-3-oxo-propanoic acid ethyl ester is an organic compound with the formula C6H8O4. The systematic name of this chemical is ethyl 2-formyl-3-oxopropanoate. With the CAS registry number 80370-42-9, it is also named as Ethyl 2-formyl-3-oxopropanoate.

Physical properties about 2-Formyl-3-oxo-propanoic acid ethyl ester are: (1)ACD/LogP: -0.61; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 60.44 Å2; (11)Index of Refraction: 1.421; (12)Molar Refractivity: 31.953 cm3; (13)Molar Volume: 126.072 cm3; (14)Polarizability: 12.667×10-24cm3; (15)Surface Tension: 36.907 dyne/cm; (16)Density: 1.143 g/cm3; (17)Flash Point: 67.423 °C; (18)Enthalpy of Vaporization: 41.773 kJ/mol; (19)Boiling Point: 181.475 °C at 760 mmHg; (20)Vapour Pressure: 0.85 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C=O)C(=O)OCC
(2)InChI: InChI=1/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
(3)InChIKey: HMFLBGNCDZYITR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
(5)Std. InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N

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