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115362-12-4

Basic Information
CAS No.: 115362-12-4
Name: (-)-(2S,3S)-2,3-Epoxy-3-cyclohexyl-1-propanol
Article Data: 9
Molecular Structure:
Molecular Structure of 115362-12-4 ((-)-(2S,3S)-2,3-Epoxy-3-cyclohexyl-1-propanol)
Formula: C9H16O2
Molecular Weight: 156.225
Synonyms: Oxiranemethanol,3-cyclohexyl-, (2S-trans)- (9CI);(-)-(2S,3S)-2,3-Epoxy-3-cyclohexyl-1-propanol;
Density: 1.092 g/cm3
Boiling Point: 254.8 °C at 760 mmHg
Flash Point: 107.4 °C
PSA: 32.76000
LogP: 1.32640
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Specification

The (-)-(2S,3S)-2,3-Epoxy-3-cyclohexyl-1-propanol with the CAS number 115362-12-4 is also called Oxiranemethanol,3-cyclohexyl-, (2S-trans)- (9CI). The systematic name is 2-Oxiranemethanol, 3-cyclohexyl-, (2S,3S)-. Its molecular formula is C9H16O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (-)-(2S,3S)-2,3-Epoxy-3-cyclohexyl-1-propanol are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 32.76Å2; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 42.77 cm3; (11)Molar Volume: 142.9 cm3; (12)Polarizability: 16.95×10-24cm3; (13)Surface Tension: 45.9 dyne/cm; (14)Enthalpy of Vaporization: 57.18 kJ/mol; (15)Vapour Pressure: 0.00257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H]2O[C@H]2C1CCCCC1
(2)InChI: InChI=1/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m0/s1
(3)InChIKey: JHPCIQWUOSMNLK-IUCAKERBBZ