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| CAS No.: | 68293-32-3 |
|---|---|
| Name: | 5-Methyl-7-hydroxy-1-indanone |
| Molecular Structure: | |
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| Formula: | C10H10O2 |
| Molecular Weight: | 162.188 |
| Synonyms: | 5-Methyl-7-hydroxy-1-indanone;7-Hydroxy-5-methyl-1-indanone;1-Indanone, 7-hydroxy-5-methyl- (6CI);7-Hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one; |
| Density: | 1.25 g/cm3 |
| Boiling Point: | 336.464 °C at 760 mmHg |
| Flash Point: | 143.11 °C |
| PSA: | 37.30000 |
| LogP: | 1.82950 |
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Specification
The 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-5-methyl-, with the CAS registry number 68293-32-3, is also known as 7-Hydroxy-5-methylindan-1-one. This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. What's more, its systematic name is 7-Hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one.
Physical properties of 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-5-methyl- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 88; (6)ACD/BCF (pH 7.4): 88; (7)ACD/KOC (pH 5.5): 855; (8)ACD/KOC (pH 7.4): 854; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 45.264 cm3; (15)Molar Volume: 129.727 cm3; (16)Polarizability: 17.944×10-24 cm3; (17)Surface Tension: 53.704 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 143.11 °C; (20)Enthalpy of Vaporization: 60.259 kJ/mol; (21)Boiling Point: 336.464 °C at 760 mmHg.
Preparation: this chemical can be prepared by 3-chloro-propionic acid m-tolyl ester at the temperature of 80-180 °C. This reaction will need reagent AlCl3 with the reaction time of 5 hours. The yield is about 55%.
Uses of 1H-Inden-1-one, 2,3-dihydro-7-hydroxy-5-methyl-: it can be used to produce 2-(dimethylaminomethylene)-7-hydroxy-5-methyl-1-indanone by heating. After 4 hours' reaction, the yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cc(cc1O)C)CC2
(2)InChI: InChI=1S/C10H10O2/c1-6-4-7-2-3-8(11)10(7)9(12)5-6/h4-5,12H,2-3H2,1H3
(3)InChIKey: UXKFGUFWESXHMB-UHFFFAOYSA-N