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220633-52-3

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Basic Information
CAS No.: 220633-52-3
Name: 2,2,7-TRIMETHYL-2H-PYRANO[4,3-B]PYRAN-5-ONE
Article Data: 6
Molecular Structure:
Molecular Structure of 220633-52-3 (2,2,7-TRIMETHYL-2H-PYRANO[4,3-B]PYRAN-5-ONE)
Formula: C11H12O3
Molecular Weight: 192.21118
Synonyms: 2,2,7-Trimethyl-2h-pyrano[4,3-B]pyran-5-one;
Density: 1.183 g/cm3
Boiling Point: 325.243 °C at 760 mmHg
Flash Point: 133.816 °C
PSA: 39.44000
LogP: 2.13240
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Specification

The CAS register number of 2H,5H-Pyrano[4,3-b]pyran-5-one,2,2,7-trimethyl- is 220633-52-3. The IUPAC name about this chemical is 2,2,7-trimethylpyrano[4,3-b]pyran-5-one. The molecular formula about this chemical is C11H12O3 and the molecular weight is 192.21118. It belongs to the following product category which includes pharmacetical.

Physical properties about 2H,5H-Pyrano[4,3-b]pyran-5-one,2,2,7-trimethyl- are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 192; (7)ACD/KOC (pH 7.4): 192; (8)#H bond acceptors: 3; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 51.541 cm3; (12)Molar Volume: 162.519 cm3; (13)Polarizability: 20.432x10-24cm3; (14)Surface Tension: 38.683 dyne/cm; (15)Density: 1.183 g/cm3; (16)Flash Point: 133.816 °C; (17)Enthalpy of Vaporization: 56.734 kJ/mol; (18)Boiling Point: 325.243 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\C(=C/C=2OC(/C=C\C1=2)(C)C)C
(2)InChI: InChI=1/C11H12O3/c1-7-6-9-8(10(12)13-7)4-5-11(2,3)14-9/h4-6H,1-3H3
(3)InChIKey: HXXIFLAWGKQKAG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H12O3/c1-7-6-9-8(10(12)13-7)4-5-11(2,3)14-9/h4-6H,1-3H3
(5)Std. InChIKey: HXXIFLAWGKQKAG-UHFFFAOYSA-N