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14176-13-7

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Basic Information
CAS No.: 14176-13-7
Name: 2-hydroxyhexacosanoic acid
Article Data: 11
Molecular Structure:
Molecular Structure of 14176-13-7 (2-hydroxyhexacosanoic acid)
Formula: C26H52O3
Molecular Weight: 412.697
Synonyms: Ceroticacid, a-hydroxy- (4CI);(?à)-a-Hydroxyhexacosanoic acid;2-Hydroxyhexacosanoic acid;a-Hydroxycerotic acid;a-Hydroxyhexacosanoic acid;
EINECS: 238-029-8
Density: 0.916 g/cm3
Melting Point: 103-105 °C
Boiling Point: 532.7 °C at 760 mmHg
Flash Point: 290 °C
PSA: 57.53000
LogP: 8.42410
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Specification

The CAS register number of Hexacosanoic acid,2-hydroxy- is 14176-13-7. It also can be called as a-Hydroxycerotic acid and the IUPAC name about this chemical is 2-hydroxyhexacosanoic acid. The molecular formula about this chemical is C26H52O3 and the molecular weight is 412.68928.

Physical properties about Hexacosanoic acid,2-hydroxy- are: (1)ACD/LogP: 11.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.42; (4)ACD/LogD (pH 7.4): 7.96; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 92576.91; (7)ACD/KOC (pH 5.5): 346200.81; (8)ACD/KOC (pH 7.4): 12150.62; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 125.56 cm3; (15)Molar Volume: 450.2 cm3; (16)Polarizability: 49.77x10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 0.916 g/cm3; (19)Flash Point: 290 °C; (20)Enthalpy of Vaporization: 93 kJ/mol; (21)Boiling Point: 532.7 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C26H52O3/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(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
(3)InChIKey: IFYDZTDBJZWEPK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C26H52O3/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(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
(5)Std. InChIKey: IFYDZTDBJZWEPK-UHFFFAOYSA-N