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CAS No.: | 114012-43-0 |
---|---|
Name: | (3-phenyloxetan-3-yl)methanol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | (3-phenyloxetan-3-yl)methanol;3-Hydroxymethyl-3-phenyloxetane;3-Phenyl-3-oxetaneMethanol |
Density: | 1.146 g/cm3 |
Boiling Point: | 286.4 °C at 760 mmHg |
Flash Point: | 129.1 °C |
PSA: | 29.46000 |
LogP: | 0.94690 |
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The (3-Phenyloxetan-3-yl)methanol, with the CAS registry number 114012-43-0, has the molecular formula C10H12O2. In addition, this chemical's molecular weight is 164.20108. Its systematic name is called (3-phenyloxetan-3-yl)methanol.
Physical properties of (3-Phenyloxetan-3-yl)methanol: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 2.78; (5)ACD/BCF (pH 7.4): 2.78; (6)ACD/KOC (pH 5.5): 72.34; (7)ACD/KOC (pH 7.4): 72.34; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 46.01 cm3; (13)Molar Volume: 143.2 cm3; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.146 g/cm3; (16)Flash Point: 129.1 °C; (17)Enthalpy of Vaporization: 55.5 kJ/mol; (18)Boiling Point: 286.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1(COC1)c2ccccc2
(2)InChI: InChI=1/C10H12O2/c11-6-10(7-12-8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
(3)InChIKey: MDFSDDCPPNQIFV-UHFFFAOYAK