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2492-43-5

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Basic Information
CAS No.: 2492-43-5
Name: 4-OXO-2-HEXENAL
Molecular Structure:
Molecular Structure of 2492-43-5 (4-OXO-2-HEXENAL)
Formula: C6H8O2
Molecular Weight: 112.12832
Synonyms: 2-Hexenal,4-oxo-, (E)- (8CI);(E)-4-Oxo-2-hexenal;4-Oxo-E-2-hexenal;4-Oxo-trans-2-hexenal;trans-4-Ketohex-2-enal;trans-4-Oxo-2-hexenal;trans-4-Oxohex-2-en-1-al;
Density: 0.969 g/cm3
Boiling Point: 210.1 °C at 760 mmHg
Flash Point: 75.1 °C
PSA: 34.14000
LogP: 0.72060
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Raw Materials
3208-16-0
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Specification

The CAS register number of 2-Hexenal, 4-oxo-,(2E)- is 2492-43-5. It also can be called as 4-Oxo-E-2-hexenal and the IUPAC name about this chemical is (E)-4-oxohex-2-enal. The molecular formula about this chemical is C6H8O2 and the molecular weight is 112.12832.

Physical properties about 2-Hexenal, 4-oxo-,(2E)- are: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -0.01; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.66; (7)ACD/KOC (pH 7.4): 23.66; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 30.12 cm3; (13)Molar Volume: 115.6 cm3; (14)Polarizability: 11.94x10-24cm3; (15)Surface Tension: 30.6 dyne/cm; (16)Density: 0.969 g/cm3; (17)Flash Point: 75.1 °C; (18)Enthalpy of Vaporization: 44.64 kJ/mol; (19)Boiling Point: 210.1 °C at 760 mmHg; (20)Vapour Pressure: 0.196 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\C(=O)CC
(2)InChI: InChI=1/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
(3)InChIKey: GVKYFODEMNCLGS-ONEGZZNKBV
(4)Std. InChI: InChI=1S/C6H8O2/c1-2-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
(5)Std. InChIKey: GVKYFODEMNCLGS-ONEGZZNKSA-N