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55-88-9

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Basic Information
CAS No.: 55-88-9
Name: 2-Octenal, 4-hydroxy-,(2E)-
Article Data: 1
Molecular Structure:
Molecular Structure of 55-88-9 (2-Octenal, 4-hydroxy-,(2E)-)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: 2-Octenal,4-hydroxy-, (E)- (8CI);trans-4-Hydroxy-2-octenal;
Density: 0.951g/cm3
Boiling Point: 259.4 °C at 760 mmHg
Flash Point: 107.5 °C
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Specification

The 2-Octenal, 4-hydroxy-,(2E)-, with CAS registry number 55-88-9, has the systematic name of (2E)-4-hydroxyoct-2-enal. Besides this, it is also called 2-Octenal, 4-hydroxy-, (E)-. And the chemical formula of this chemical is C8H14O2.

Physical properties of 2-Octenal, 4-hydroxy-,(2E)-: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.9; (6)ACD/BCF (pH 7.4): 5.9; (7)ACD/KOC (pH 5.5): 123.92; (8)ACD/KOC (pH 7.4): 123.92; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 40.85 cm3; (15)Molar Volume: 149.4 cm3; (16)Polarizability: 16.19×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.951 g/cm3; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 57.73 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\C(O)CCCC
(2)InChI: InChI=1/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6-8,10H,2-3,5H2,1H3/b6-4+
(3)InChIKey: PYWFGGNTBVBZAT-GQCTYLIABT
(4)Std. InChI: InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6-8,10H,2-3,5H2,1H3/b6-4+
(5)Std. InChIKey: PYWFGGNTBVBZAT-GQCTYLIASA-N