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CAS No.: | 67905-27-5 |
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Name: | aluminium tri(octacosanolate) |
Molecular Structure: | |
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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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