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67905-27-5

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Basic Information
CAS No.: 67905-27-5
Name: aluminium tri(octacosanolate)
Molecular Structure:
Molecular Structure of 67905-27-5 (aluminium tri(octacosanolate))
Formula: C28H58O·1/3Al
Molecular Weight: 418.75
Synonyms: 1-Octacosanol,aluminum salt (9CI);1-Octacosanol, aluminum salt (3:1);1-Octacosanol, aluminum salt;Aluminium tri(octacosanolate);
EINECS: 267-646-5
Density: 0.841g/cm3
Boiling Point: 428.1oC at 760mmHg
Flash Point: 135.3oC
PSA: 69.18000
LogP: 32.07570
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Specification

The Policosanol, with the CAS registry number 67905-27-5, is also known as 1-Octacosanol, aluminum salt. Its EINECS number is 267-646-5. This chemical's molecular formula is C28H58O·1/3Al and formula weight is 418.75. What's more, its IUPAC name is aluminum octacosan-1-olate.

Physical properties of Policosanol are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)Rotatable Bond Count: 78; (4)Polar Surface Area: 69.2 Å2; (5)Heavy Atom Count: 88; (6)Complexity: 263; (7)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].[Al+3]
(2)InChI: InChI=1S/3C28H57O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29;/h3*2-28H2,1H3;/q3*-1;+3
(3)InChIKey: WFYYEDFTTMWDQX-UHFFFAOYSA-N