Name: (E)-Ethyl 4-oxopent-2-enoate
SKU: 10150-93-3

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Basic Information

Molecular Structure:
CAS No.:	10150-93-3
Name:	(E)-Ethyl 4-oxopent-2-enoate
Article Data:	35

Formula:	C₇H₁₀O₃
Molecular Weight:	142.155
Synonyms:	Ethyl (2E)-4-oxo-2-pentenoate;Ethyl (2E)-4-oxopent-2-enoate;Ethyl (E)-4-oxopent-2-enoate;2-Pentenoic acid, 4-oxo-, ethyl ester, (2E)-;
Density:	1.027 g/cm³
Boiling Point:	220.4 °C at 760 mmHg
Flash Point:	89.5 °C
PSA:	43.37000
LogP:	0.69470

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Specification

The (E)-Ethyl 4-oxopent-2-enoate, with the CAS registry number 10150-93-3, is also known as Ethyl (2E)-4-oxopent-2-enoate. This chemical's molecular formula is C₇H₁₀O₃ and molecular weight is 142.15. What's more, its systematic name is ethyl (2E)-4-oxopent-2-enoate.

Physical properties of (E)-Ethyl 4-oxopent-2-enoate are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.29; (8)ACD/KOC (pH 7.4): 25.29; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 36.34 cm³; (15)Molar Volume: 138.2 cm³; (16)Polarizability: 14.4 × 10^-24 cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 89.5 °C; (20)Enthalpy of Vaporization: 45.68 kJ/mol; (21)Boiling Point: 220.4 °C at 760 mmHg; (22)Vapour Pressure: 0.114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(\C=C\C(=O)OCC)C
(2)InChI: InChI=1/C7H10O3/c1-3-10-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3/b5-4+
(3)InChIKey: RYESNZCDHSIFDI-SNAWJCMRBM