5-Oxohex-2-enoic acid supplier

Name
5-Oxohex-2-enoic acid
EINECS
CAS No. 143228-86-8
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₆H₈O₃
Boiling Point 307.789 °C at 760 mmHg
Molecular Weight 128.128
Flash Point 154.169 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (E)-5-oxohex-2-enoic acid;5-oxo-2-Hexenoic acid;5-Oxohex-2-enoic acid;
PSA 54.37000
LogP 0.60630

5-Oxohex-2-enoic acid Specification

The 5-Oxohex-2-enoic acid, with the cas registry number 143228-86-8, is also called 5-oxo-2-Hexenoic acid. It belongs to the product category of Acetyl group. And the molecular formula of the chemical is C₆H₈O₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.718; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 54.37 Å²; (11)Index of Refraction: 1.47; (12)Molar Refractivity: 31.498 cm³; (13)Molar Volume: 112.936 cm³; (14)Polarizability: 12.487×10^-24cm³; (15)Surface Tension: 40.517 dyne/cm; (16)Density: 1.135 g/cm³; (17)Flash Point: 154.169 °C; (18)Enthalpy of Vaporization: 60.314 kJ/mol; (19)Boiling Point: 307.789 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(=O)C/C=C/C(=O)O
(2)InChI: InChI=1/C6H8O3/c1-5(7)3-2-4-6(8)9/h2,4H,3H2,1H3,(H,8,9)/b4-2+
(3)InChIKey: XQAHOFAHGMZYNU-DUXPYHPUBL

Product Name

5-Oxohex-2-enoic acid

5-Oxohex-2-enoic acid Specification

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