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65219-11-6

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Basic Information
CAS No.: 65219-11-6
Name: 1-Benzhydrylazetidine-2-carboxylic Acid
Article Data: 2
Molecular Structure:
Molecular Structure of 65219-11-6 (1-Benzhydrylazetidine-2-carboxylic Acid)
Formula: C17H17NO2
Molecular Weight: 267.327
Synonyms: 1-Benzhydrylazetidine-2-carboxylicacid;1-(Diphenylmethyl)azetidine-2-carboxylic acid;
Density: 1.235 g/cm3
Boiling Point: 410.176 °C at 760 mmHg
Flash Point: 201.867 °C
PSA: 40.54000
LogP: 2.87280
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Specification

The 2-Azetidinecarboxylicacid, 1-(diphenylmethyl)-, with the CAS registry number 65219-11-6, is also known as 1-Benzhydrylazetidine-2-carboxylicacid. This chemical's molecular formula is C17H17NO2 and molecular weight is 267.32. What's more, its systematic name is 1-(diphenylmethyl)azetidine-2-carboxylic acid. 

Physical properties of 2-Azetidinecarboxylicacid, 1-(diphenylmethyl)- are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 77.076 cm3; (15)Molar Volume: 216.43 cm3; (16)Polarizability: 30.555×10-24cm3; (17)Surface Tension: 56.258 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 201.867 °C; (20)Enthalpy of Vaporization: 69.851 kJ/mol; (21)Boiling Point: 410.176 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C3N(C(c1ccccc1)c2ccccc2)CC3
(2)InChI: InChI=1S/C17H17NO2/c19-17(20)15-11-12-18(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
(3)InChIKey: UKLYVGBEYKTNBH-UHFFFAOYSA-N