2-(Methyl-D3)-1,4-naphthoquinone (5172-16-7)

The 2-(Methyl-D3)-1,4-naphthoquinone with the cas number 5172-16-7 is also called 1,4-naphthalenedione, 2-(methyl-d_3_)-. The product's category is Vitamins - Deuterated. Its molecular formula is C₁₁H₅D₃O₂. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.988; (4)ACD/LogD (pH 7.4): 1.988; (5)ACD/BCF (pH 5.5): 19.085; (6)ACD/BCF (pH 7.4): 19.085; (7)ACD/KOC (pH 5.5): 287.297; (8)ACD/KOC (pH 7.4): 287.297; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14Ų; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 47.608 cm³; (15)Molar Volume: 140.535 cm³; (16)Polarizability: 18.873×10^-24cm³; (17)Surface Tension: 46.442 dyne/cm; (18)Enthalpy of Vaporization: 54.487 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C1=CC(=O)c2ccccc2C1=O
(2)InChI: InChI=1/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3/i1D3
(3)InChIKey: MJVAVZPDRWSRRC-FIBGUPNXEV