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Basic Information
CAS No.: 61363-56-2
Name: PYRAN-3,5-DIONE
Article Data: 9
Molecular Structure:
Molecular Structure of 61363-56-2 (PYRAN-3,5-DIONE)
Formula: C5H6O3
Molecular Weight: 114.101
Synonyms: NSC 293808;Tetrahydropyran-3,5-dione;
Density: 1.26 g/cm3
Melting Point: 128-129 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 275.1 °C at 760 mmHg
Flash Point: 123.4 °C
PSA: 43.37000
LogP: -0.45510
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  • 2H-Pyran-3,5(4H,6H)-dione

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  • 2H-Pyran-3,5(4H,6H)-dione

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    2H-Pyran-3,5(4H,6H)-dione

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  • 2H-Pyran-3,5(4H,6H)-dione

  • Casno:

    61363-56-2

    2H-Pyran-3,5(4H,6H)-dione

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Specification

The 2H-Pyran-3,5(4H,6H)-dione, with CAS registry number 61363-56-2, has the systematic name of 2H-pyran-3,5(4H,6H)-dione. Besides this, it is also called Pyran-3,5-dione. And the chemical formula of this chemical is C5H6O3.

Physical properties of 2H-Pyran-3,5(4H,6H)-dione: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.463; (8)Molar Refractivity: 24.92 cm3; (9)Molar Volume: 90.4 cm3; (10)Polarizability: 9.88×10-24cm3; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 51.35 kJ/mol; (15)Boiling Point: 275.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00521 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1COCC(=O)C1
(2)InChI: InChI=1/C5H6O3/c6-4-1-5(7)3-8-2-4/h1-3H2
(3)InChIKey: SMIQVIXGQSMHKF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H6O3/c6-4-1-5(7)3-8-2-4/h1-3H2
(5)Std. InChIKey: SMIQVIXGQSMHKF-UHFFFAOYSA-N