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| CAS No.: | 84174-65-2 |
|---|---|
| Name: | 7-hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-one |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.21 |
| Synonyms: | 7-Hydroxy-4,6-dimethyl-2,3-dihydroinden-1-one;7-Hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-one; |
| Density: | 1.206 g/cm3 |
| Boiling Point: | 357.1 °C at 760 mmHg |
| Flash Point: | 152.2 °C |
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Specification
The 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-4,6-dimethyl-, with the CAS registry number 84174-65-2, is also known as 7-Hydroxy-4,6-dimethyl-2,3-dihydroinden-1-one. This chemical's molecular formula is C11H12O2 and molecular weight is 176.21. What's more, its systematic name is 7-Hydroxy-4,6-dimethyl-2,3-dihydro-1H-inden-1-one.
Physical properties of 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-4,6-dimethyl- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 50.08 cm3; (9)Molar Volume: 146 cm3; (10)Polarizability: 19.85×10-24 cm3; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.206 g/cm3; (13)Flash Point: 152.2 °C; (14)Enthalpy of Vaporization: 62.61 kJ/mol; (15)Boiling Point: 357.1 °C at 760 mmHg; (16)Vapour Pressure: 1.36E-05 mmHg at 25°C.
Uses of 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-4,6-dimethyl-: it can be used to produce 2-benzylidene-4,6-dimethyl-7-hydroxy-1-indanone by heating. It will need reagent DBU and solvent ethanol with the reaction time of 5 hours. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(c(cc(c1O)C)C)CC2
(2)InChI: InChI=1S/C11H12O2/c1-6-5-7(2)11(13)10-8(6)3-4-9(10)12/h5,13H,3-4H2,1-2H3
(3)InChIKey: NHMFOWVPDZOLFP-UHFFFAOYSA-N