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Basic Information
CAS No.: 5732-97-8
Name: 2-Oxabicyclo[2.2.1]heptan-3-one
Article Data: 6
Molecular Structure:
Molecular Structure of 5732-97-8 (2-Oxabicyclo[2.2.1]heptan-3-one)
Formula: C6H8O2
Molecular Weight: 112.128
Synonyms: Cyclopentanecarboxylicacid, 3-hydroxy-, g-lactone (6CI,7CI);NSC 44109;Cyclopentanecarboxylic acid, 3α-hydroxy-, γ-lactone;
Density: 1.208 g/cm3
Boiling Point: 251.3 °C at 760 mmHg
Flash Point: 98.1 °C
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Specification

The CAS register number of 2-Oxabicyclo[2.2.1]heptan-3-one is 5732-97-8. It also can be called as Cyclopentanecarboxylic acid, 3α-hydroxy-, γ-lactone and the systematic name about this chemical is 2-oxabicyclo[2.2.1]heptan-3-one. The molecular formula about this chemical is C6H8O2 and the molecular weight is 112.1265.

Physical properties about 2-Oxabicyclo[2.2.1]heptan-3-one are: (1)ACD/LogP: -0.35; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.3Å2; (4)Index of Refraction: 1.503; (5)Molar Refractivity: 27.45 cm3; (6)Molar Volume: 92.7 cm3; (7)Polarizability: 10.88x10-24cm3; (8)Surface Tension: 39.5 dyne/cm; (9)Enthalpy of Vaporization: 48.86 kJ/mol; (10)Boiling Point: 251.3 °C at 760 mmHg; (11)Vapour Pressure: 0.0206 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC2CC1CC2
(2)InChI: InChI=1/C6H8O2/c7-6-4-1-2-5(3-4)8-6/h4-5H,1-3H2
(3)InChIKey: PXIPIYIAXWNZCU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H8O2/c7-6-4-1-2-5(3-4)8-6/h4-5H,1-3H2
(5)Std. InChIKey: PXIPIYIAXWNZCU-UHFFFAOYSA-N