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23510-95-4

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Basic Information
CAS No.: 23510-95-4
Name: 4-(Benzoyloxy)cyclohexanone
Article Data: 15
Molecular Structure:
Molecular Structure of 23510-95-4 (4-(Benzoyloxy)cyclohexanone)
Formula: C13H14O3
Molecular Weight: 218.252
Synonyms: Cyclohexanone,4-hydroxy-, benzoate (6CI,7CI,8CI);4-(Benzoyloxy)cyclohexanone;4-Oxocyclohexyl benzoate;Benzoic acid 4-oxocyclohexyl ester;NSC 51499;
Density: 1.16 g/cm3
Melting Point: 64-65℃
Boiling Point: 344.7 °C at 760 mmHg
Flash Point: 152.3 °C
Appearance: off-white powder
PSA: 43.37000
LogP: 2.35510
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Specification

The Cyclohexanone,4-(benzoyloxy)-, with the CAS registry number 23510-95-4, is also known as 4-(Benzoyloxy)cyclohexanone and Benzoic acid 4-oxocyclohexyl ester. This chemical's molecular formula is C13H14O3 and molecular weight is 218.24846. What's more, its IUPAC name is (4-Oxocyclohexyl) benzoate.

Physical properties about Cyclohexanone,4-(benzoyloxy)- are: (1) ACD/LogP: 2.23; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 43.37 Å2; (7) Index of Refraction: 1.543; (8) Molar Refractivity: 59.07 cm3; (9) Molar Volume: 187.3 cm3; (10) Polarizability: 23.41×10-24 cm3; (11) Surface Tension: 44.2 dyne/cm; (12) Density: 1.16 g/cm3; (13) Flash Point: 152.3 °C; (14) Enthalpy of Vaporization: 58.87 kJ/mol; (15) Boiling Point: 344.7 °C at 760 mmHg; (16) Vapour Pressure: 6.47E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CCC(=O)CC1)c2ccccc2
(2) InChI: InChI=1/C13H14O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,12H,6-9H2
(3) InChIKey: VFICJPDIBDJAGL-UHFFFAOYAC