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3-Phenoxyazetidine

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Name

3-Phenoxyazetidine

EINECS N/A
CAS No. 76263-18-8 Density 1.092 g/cm3
PSA 21.26000 LogP 1.36600
Solubility N/A Melting Point N/A
Formula C9H11NO Boiling Point 239.6 °C at 760 mmHg
Molecular Weight 149.192 Flash Point 89.7 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 76263-18-8 (3-phenoxyazetidine) Hazard Symbols N/A
Synonyms

3-Phenoxyazetidine;

Article Data 8

3-Phenoxyazetidine Specification

The Azetidine,3-phenoxy- is an organic compound with the formula C9H11NO. With the CAS registry number 76263-18-8, the systematic name of this chemical is 3-phenoxyazetidine.

Physical properties about Azetidine,3-phenoxy- are: (1)ACD/LogP: 1.22; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 21.26 Å2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 43.47 cm3; (12)Molar Volume: 136.4 cm3; (13)Polarizability: 17.23×10-24cm3; (14)Surface Tension: 40.3 dyne/cm; (15)Density: 1.092 g/cm3; (16)Flash Point: 89.7 °C; (17)Enthalpy of Vaporization: 47.65 kJ/mol; (18)Boiling Point: 239.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0397 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2ccc(OC1CNC1)cc2
(2)InChI: InChI=1/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
(3)InChIKey: CCDAHKDEKOTDGR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
(5)Std. InChIKey: CCDAHKDEKOTDGR-UHFFFAOYSA-N

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