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18654-81-4

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Basic Information
CAS No.: 18654-81-4
Name: (Z)-oct-4-enoic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 18654-81-4 ((Z)-oct-4-enoic acid)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: (Z)-Oct-4-enoic acid;
EINECS: 242-479-0
Density: 0.955g/cm3
Boiling Point: 239.9 °C at 760 mmHg
Flash Point: 137.2 °C
PSA: 37.30000
LogP: 2.20750
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Specification

The 4-Octenoicacid, (4Z)-, with the CAS registry number 18654-81-4, is also known as (Z)-Oct-4-enoic acid. Its EINECS registry number is 242-479-0. This chemical's molecular formula is C8H14O2 and molecular weight is 142.19556. What's more, its systematic name is called (4Z)-Oct-4-enoic acid.

Physical properties about 4-Octenoicacid, (4Z)- are: (1)ACD/LogP: 2.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 6.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 69.1; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 40.73 cm3; (15)Molar Volume: 148.8 cm3; (16)Surface Tension: 34 dyne/cm; (17)Density: 0.955 g/cm3; (18)Flash Point: 137.2 °C; (19)Enthalpy of Vaporization: 52.51 kJ/mol; (20)Boiling Point: 239.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0132 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC\C=C/CCC
(2) InChI: InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4-
(3) InChIKey: PFHBCQFBHMBAMC-PLNGDYQABO