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41043-88-3

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Basic Information
CAS No.: 41043-88-3
Name: ACETIC ACID 4-OXO-CYCLOHEXYL ESTER
Article Data: 10
Molecular Structure:
Molecular Structure of 41043-88-3 (ACETIC ACID 4-OXO-CYCLOHEXYL ESTER)
Formula: C8H12O3
Molecular Weight: 156.181
Synonyms: Cyclohexanone,4-hydroxy-, acetate (6CI);4-Acetoxycyclohexanone;4-(Acetyloxy)cyclohexanone;
Density: 1.08 g/cm3
Boiling Point: 230.8 °C at 760 mmHg
Flash Point: 94.9 °C
PSA: 43.37000
LogP: 1.06120
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Specification

The Cyclohexanone,4-(acetyloxy)- is an organic compound with the formula C8H12O3. The systematic name of this chemical is 4-oxocyclohexyl acetate. With the CAS registry number 41043-88-3, it is also named as Acetic acid 4-oxo-cyclohexyl ester. The product's category is Miscellaneous.

Physical properties about Cyclohexanone,4-(acetyloxy)- are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/LogD (pH 7.4): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.97; (7)ACD/KOC (pH 7.4): 30.97; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 38.99 cm3; (13)Molar Volume: 143.4 cm3; (14)Polarizability: 15.45×10-24cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.08 g/cm3; (17)Flash Point: 94.9 °C; (18)Enthalpy of Vaporization: 46.74 kJ/mol; (19)Boiling Point: 230.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0646 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCC(=O)CC1)C
(2)InChI: InChI=1/C8H12O3/c1-6(9)11-8-4-2-7(10)3-5-8/h8H,2-5H2,1H3
(3)InChIKey: YBMRTOLIRJUOPL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H12O3/c1-6(9)11-8-4-2-7(10)3-5-8/h8H,2-5H2,1H3
(5)Std. InChIKey: YBMRTOLIRJUOPL-UHFFFAOYSA-N