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4191-17-7

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Basic Information
CAS No.: 4191-17-7
Name: 5,6-DIMETHOXY-2-METHYL-INDAN-1-ONE
Article Data: 14
Molecular Structure:
Molecular Structure of 4191-17-7 (5,6-DIMETHOXY-2-METHYL-INDAN-1-ONE)
Formula: C12H14O3
Molecular Weight: 206.241
Synonyms: 1-Indanone,5,6-dimethoxy-2-methyl- (6CI,7CI,8CI);5,6-Dimethoxy-2-methyl-1-indanone;
Density: 1.126 g/cm3
Melting Point: 129-130 °C
Boiling Point: 342.5 °C at 760 mmHg
Flash Point: 152.1 °C
PSA: 35.53000
LogP: 2.07870
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Specification

The cas register number of 5,6-Dimethoxy-2-methylindan-1-one is 4191-17-7. It also can be called as 1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-methyl- and the Systematic name about this chemical is 5,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one.

Physical properties about 5,6-Dimethoxy-2-methylindan-1-one are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72.19; (5)ACD/BCF (pH 7.4): 72.19; (6)ACD/KOC (pH 5.5): 744.57; (7)ACD/KOC (pH 7.4): 744.57; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 56.62 cm3; (13)Molar Volume: 183 cm3; (14)Polarizability: 22.44x10-24cm3; (15)Surface Tension: 37.5 dyne/cm; (16)Enthalpy of Vaporization: 58.63 kJ/mol; (17)Vapour Pressure: 7.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cc(OC)c(OC)cc1CC2C
(2)InChI: InChI=1/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3 
(3)InChIKey: DRWBHZSJKUMHGN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
(5)Std. InChIKey: DRWBHZSJKUMHGN-UHFFFAOYSA-N