2,3-O-Cyclohexylidene-myo-inositol supplier

Name
2,3-O-Cyclohexylidene-myo-inositol
EINECS
CAS No. 22144-55-4
Density 1.46 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₆
Boiling Point 466.4 °C at 760 mmHg
Molecular Weight 260.28
Flash Point 235.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms spiro(2,4-dioxabicyclo[4.3.0]nonane-3,1'-cyclohexane)-6,7,8,9-tetrol;
PSA 99.38000
LogP -1.11200

2,3-O-Cyclohexylidene-myo-inositol Specification

The 2,3-O-Cyclohexylidene-myo-inositol, also known as 2,3-O-Chmi, is an organic compound with the formula C₁₂H₂₀O₆. With the CAS registry number 22144-55-4, its IUPAC name is (3aR,4R,5S,6S,7R,7aS)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol.

Physical properties of 2,3-O-Cyclohexylidene-myo-inositol: (1)ACD/LogP: 1.78; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Index of Refraction: 1.604; (6)Molar Refractivity: 60.97 cm³; (7)Molar Volume: 177.1 cm³; (8)Surface Tension: 71.4 dyne/cm; (9)Density: 1.46 g/cm³; (10)Flash Point: 235.9 °C; (11)Enthalpy of Vaporization: 83.97 kJ/mol; (12)Boiling Point: 466.4 °C at 760 mmHg; (13)Vapour Pressure: 1.16E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2(CC1)OC3C(C(C(C(C3O2)O)O)O)O
(2)Isomeric SMILES: C1CCC2(CC1)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H]([C@@H]3O2)O)O)O)O
(3)InChI: InChI=1S/C12H20O6/c13-6-7(14)9(16)11-10(8(6)15)17-12(18-11)4-2-1-3-5-12/h6-11,13-16H,1-5H2/t6-,7-,8+,9+,10-,11+/m0/s1
(4)InChIKey: SOONKKMMJCQOLI-JYRVZRIJSA-N

Product Name

2,3-O-Cyclohexylidene-myo-inositol

2,3-O-Cyclohexylidene-myo-inositol Specification

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