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CAS No.: | 504439-23-0 |
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Name: | 2,2,7-TRIMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE |
Molecular Structure: | |
Formula: | C12H16O2 |
Molecular Weight: | 192.25424 |
Synonyms: | T60026; |
Density: | 1.06 g/cm3 |
Boiling Point: | 310.2 °C at 760 mmHg |
Flash Point: | 136.5 °C |
PSA: | 26.30000 |
LogP: | 2.60450 |
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The 5H-1-Benzopyran-5-one,2,6,7,8-tetrahydro-2,2,7-trimethyl- is the organic compound with the formula C12H16O2. It belongs to the product category of Pharmacetical. With the CAS registry number 504439-23-0, its IUPAC name is 2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one.
Physical properties of 5H-1-Benzopyran-5-one,2,6,7,8-tetrahydro-2,2,7-trimethyl-: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)#H bond acceptors: 2; (5)Index of Refraction: 1.519; (6)Molar Refractivity: 54.72 cm3; (7)Molar Volume: 180 cm3; (8)Surface Tension: 35.3 dyne/cm; (9)Density: 1.06 g/cm3; (10)Flash Point: 136.5 °C; (11)Enthalpy of Vaporization: 55.1 kJ/mol; (12)Boiling Point: 310.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00061 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC2=C(C=CC(O2)(C)C)C(=O)C1
(2)InChI: InChI=1S/C12H16O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h4-5,8H,6-7H2,1-3H3
(3)InChIKey: QGPRNWZHXLFVBS-UHFFFAOYSA-N