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4350-83-8

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Basic Information
CAS No.: 4350-83-8
Name: 6-Oxabicyclo[3.2.1]octan-7-one
Article Data: 21
Molecular Structure:
Molecular Structure of 4350-83-8 (6-Oxabicyclo[3.2.1]octan-7-one)
Formula: C7H10O2
Molecular Weight: 126.155
Synonyms: Cyclohexanecarboxylicacid, 3-hydroxy-, g-lactone (6CI,7CI);3-Hydroxycyclohexanoic acid g-lactone;NSC167473;
Density: 1.141 g/cm3
Boiling Point: 254.8 °C at 760 mmHg
Flash Point: 99.8 °C
PSA: 26.30000
LogP: 1.10200
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Specification

This product is an organic compound with the formula C7H10O2. The systematic name of this chemical is 6-Oxabicyclo[3.2.1]octan-7-one. With the CAS registry number 4350-83-8, it is also named as 3-Hydroxycyclohexanoic acid g-lactone. In addition, the molecular weight is 126.15.

Physical properties of 6-Oxabicyclo[3.2.1]octan-7-one are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 32.07 cm3; (9)Molar Volume: 110.4 cm3; (10)Polarizability: 12.71×10-24 cm3; (11)Surface Tension: 37.1 dyne/cm; (12)Density: 1.141 g/cm3; (13)Flash Point: 99.8 °C; (14)Enthalpy of Vaporization: 49.23 kJ/mol; (15)Boiling Point: 254.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0169 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC2CC1CCC2
(2)InChI: InChI=1S/C7H10O2/c8-7-5-2-1-3-6(4-5)9-7/h5-6H,1-4H2
(3)InChIKey: KKVBULDFFNFYHJ-UHFFFAOYSA-N