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26444-07-5

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Basic Information
CAS No.: 26444-07-5
Name: 1-Hexacosenoic acid
Molecular Structure:
Molecular Structure of 26444-07-5 (1-Hexacosenoic acid)
Formula: C26H50O2
Molecular Weight: 394.674
Synonyms: Hexacosenoic acid;(E)-Hexacos-2-enoic acid;(2E)-Hexacos-2-enoic acid;2-Hexacosenoic acid, (2E)-;
Density: 0.885 g/cm3
Melting Point: 68.5°C (estimate)
Boiling Point: 507.9 °C at 760 mmHg
Flash Point: 387.8 °C
PSA: 37.30000
LogP: 9.22930
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Specification

The 1-Hexacosenoic acid, with the CAS registry number 26444-07-5, is also known as Hexacosenoic acid. This chemical's molecular formula is C26H50O2 and molecular weight is 238.37. What's more, its IUPAC name is (E)-hexacos-2-enoic acid. 

Physical properties of 1-Hexacosenoic acid are: (1)ACD/LogP: 12.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.7; (4)ACD/LogD (pH 7.4): 9.91; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 387237.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 124.12 cm3; (15)Molar Volume: 445.9 cm3; (16)Polarizability: 49.2×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.885 g/cm3; (19)Flash Point: 387.8 °C; (20)Enthalpy of Vaporization: 85.16 kJ/mol; (21)Boiling Point: 507.9 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC=CC(=O)O
(2)Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
(3)InChI: InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h24-25H,2-23H2,1H3,(H,27,28)/b25-24+
(4)InChIKey: HMFPLNNQWZGXAH-OCOZRVBESA-N