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954220-73-6

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Basic Information
CAS No.: 954220-73-6
Name: 3-(4-Methylphenoxy)azetidine
Molecular Structure:
Molecular Structure of 954220-73-6 (3-(4-Methylphenoxy)azetidine)
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: 3-(4-methylphenoxy)azetidine;Azetidine, 3-(4-methylphenoxy)-
Density: 1.068 g/cm3
Boiling Point: 262.6 °C at 760 mmHg
Flash Point: 101.4 °C
PSA: 21.26000
LogP: 1.67440
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Specification

This chemical is called 3-(4-Methylphenoxy)azetidine. With the molecular formula of C10H13NO, its molecular weight is 163.22. The CAS registry number of this chemical is 954220-73-6.

Other characteristics of the 3-(4-Methylphenoxy)azetidine can be summarised as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.65; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.26 Å2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 48.3 cm3; (13)Molar Volume: 152.7 cm3; (14)Polarizability: 19.14×10-24cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 1.068 g/cm3; (17)Flash Point: 101.4 °C; (18)Enthalpy of Vaporization: 50.04 kJ/mol; (19)Boiling Point: 262.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0108 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc2ccc(OC1CNC1)cc2
2.InChI: InChI=1/C10H13NO/c1-8-2-4-9(5-3-8)12-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
3.InChIKey: IKXZLYWIOATIPO-UHFFFAOYAA