CAS No.52784-31-3,3-PHENYL-CYCLOBUTAN-1-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	52784-31-3
Name:	3-PHENYL-CYCLOBUTAN-1-ONE
Article Data:	55

Formula:	C₁₀H₁₀O
Molecular Weight:	146.1858
Synonyms:	3-phenylcyclobutan-1-one;
Density:	1.11 g/cm³
Boiling Point:	258 °C at 760 mmHg
Flash Point:	105.8 °C
Hazard Symbols:	Xi
PSA:	17.07000
LogP:	2.13310

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Specification

The 3-Phenylcyclobutanone is an organic compound with the formula C₁₀H₁₀O. The IUPAC name of this chemical is 3-phenylcyclobutan-1-one. With the CAS registry number 52784-31-3, it is also named as 1-Oxo-3-phenylcyclobutane.

Physical properties about 3-Phenylcyclobutanone are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.43; (5)ACD/BCF (pH 7.4): 6.43; (6)ACD/KOC (pH 5.5): 131.81; (7)ACD/KOC (pH 7.4): 131.81; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 43.02 cm³; (13)Molar Volume: 131.6 cm³; (14)Polarizability: 17.05×10^-24cm³; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 105.8 °C; (18)Enthalpy of Vaporization: 49.56 kJ/mol; (19)Boiling Point: 258 °C at 760 mmHg; (20)Vapour Pressure: 0.0141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC(c1ccccc1)C2
(2)InChI: InChI=1/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
(3)InChIKey: BVQSFCUGCAZOJQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
(5)Std. InChIKey: BVQSFCUGCAZOJQ-UHFFFAOYSA-N