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10,10-Dimethylanthrone

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Name

10,10-Dimethylanthrone

EINECS 226-666-4
CAS No. 5447-86-9 Density 1.105g/cm3
Solubility Melting Point 101-103ºC
Formula C16H14O Boiling Point 346.6°Cat760mmHg
Molecular Weight 222.28 Flash Point 149.4°C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 5447-86-9 (10,10-Dimethylanthrone) Hazard Symbols
Synonyms

Anthrone, 10,10-dimethyl- (6CI,7CI);10,10-Dimethyl-9(10H)-anthracenone;10,10-Dimethyl-9-anthrone;10,10-Dimethylanthrone;NSC 17539;

 

10,10-Dimethylanthrone Specification

The cas register number of 10,10-Dimethylanthrone is 5447-86-9. It also can be called as 9(10H)-anthracenone, 10,10-dimethyl- and the systematic name about this chemical is 10,10-dimethylanthracen-9-one.

Physical properties about 10,10-Dimethylanthrone are: (1)ACD/LogP: 4.61 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 4.61 ; (4)ACD/LogD (pH 7.4): 4.61 ; (5)ACD/BCF (pH 5.5): 1873.07; (6)ACD/BCF (pH 7.4): 1873.07; (7)ACD/KOC (pH 5.5): 7657.57; (8)ACD/KOC (pH 7.4): 7657.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 67.85 cm3; (15)Molar Volume: 200.9 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.105 g/cm3; (18)Flash Point: 149.4 °C; (19)Enthalpy of Vaporization: 59.08 kJ/mol; (20)Boiling Point: 346.6 °C at 760 mmHg; (21)Vapour Pressure: 5.68E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(cccc1)C(c3c2cccc3)(C)C
2.InChI: InChI=1/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3 
3.InChIKey: GWFCYDIAPRIMLA-UHFFFAOYAU
4.Std. InChI: InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3

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