CAS 696-71-9 | Cyclooctanol | CAS Number 696-71-9

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696-71-9 | Cyclooctanol

CAS No: 696-71-9 Catalog No: AG005JFL MDL No:MFCD00001744

Product Description

Catalog Number:

AG005JFL

Chemical Name:

Cyclooctanol

CAS Number:

696-71-9

Molecular Formula:

C8H16O

Molecular Weight:

128.2120

MDL Number:

MFCD00001744

IUPAC Name:

cyclooctanol

InChI:

InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

InChI Key:

FHADSMKORVFYOS-UHFFFAOYSA-N

SMILES:

OC1CCCCCCC1

EC Number:

211-800-6

NSC Number:

60162

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.215g/mol

Monoisotopic Mass:

128.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Efficient catalytic cycloalkane oxidation employing a 'helmet' phthalocyaninato iron(III) complex.	Dalton transactions (Cambridge, England : 2003) 20110614
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling.	The Journal of organic chemistry 20100521
Disentangling the secondary relaxations in the orientationally disordered mixed crystals: cycloheptanol + cyclooctanol two-component system.	The journal of physical chemistry. B 20100513
Dielectric and calorimetric study of orientationally disordered phases in two unusual two-component systems.	The journal of physical chemistry. B 20080306
Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers.	The Journal of organic chemistry 20040109
Switching of a macromolecular helicity for visual distinction of molecular recognition events.	Journal of the American Chemical Society 20010822