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26248-43-1

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Basic Information
CAS No.: 26248-43-1
Name: dihydroxyoctadecanoic acid
Molecular Structure:
Molecular Structure of 26248-43-1 (dihydroxyoctadecanoic acid)
Formula: C18H36O4
Molecular Weight: 316.48
Synonyms: Dihydroxyoctadecanoic acid;2,2-Dihydroxyoctadecanoic acid;
EINECS: 247-540-5
Density: 1.004 g/cm3
Boiling Point: 448.76 °C at 760 mmHg
Flash Point: 239.331 °C
PSA: 77.76000
LogP: 4.62330
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Specification

The Octadecanoic acid,dihydroxy-, with the CAS registry number 26248-43-1, is also known as Dihydroxyoctadecanoic acid. Its EINECS number is 247-540-5. This chemical's molecular formula is: C18H36O4 and molecular weight is 316.48. What's more, its systematic name is 2,2-Dihydroxyoctadecanoic acid.

Physical properties of Octadecanoic acid,dihydroxy- are: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 53; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 62; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 77.76 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 90.041 cm3; (15)Molar Volume: 315.343 cm3; (16)Polarizability: 35.695×10-24 cm3; (17)Surface Tension: 41.138 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 239.331 °C; (20)Enthalpy of Vaporization: 81.614 kJ/mol; (21)Boiling Point: 448.76 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(O)(CCCCCCCCCCCCCCCC)C(O)=O
(2)InChI: InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20/h21-22H,2-16H2,1H3,(H,19,20)
(3)InChIKey: SXNBVULTHKFMNO-UHFFFAOYAM