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Cas Database |
| Name |
2H,5H-Pyrano[4,3-b]pyran-5-one,2,2,7-trimethyl- |
EINECS | N/A |
| CAS No. | 220633-52-3 | Density | 1.183 g/cm3 |
| PSA | 39.44000 | LogP | 2.13240 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H12O3 | Boiling Point | 325.243 °C at 760 mmHg |
| Molecular Weight | 192.21118 | Flash Point | 133.816 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,2,7-Trimethyl-2h-pyrano[4,3-B]pyran-5-one; |
Article Data | 6 |
2H,5H-Pyrano[4,3-b]pyran-5-one,2,2,7-trimethyl- 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
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