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350820-09-6

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Basic Information
CAS No.: 350820-09-6
Name: 2-BUTANONE-D8
Article Data: 1
Molecular Structure:
Molecular Structure of 350820-09-6 (2-BUTANONE-D8)
Formula: C4D8O
Molecular Weight: 80.0434
Synonyms: 2-Butanone-1, 1, 1, 3, 3, 4, 4, 4-d8 (9CI);
Density: 0.874 g/cm3
Boiling Point: 75.621 °C at 760 mmHg
PSA: 17.07000
LogP: 0.98540
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Specification

The 2-Butanone-d8, with the CAS registry number 350820-09-6, is also known as 2-Butanone-1, 1, 1, 3, 3, 4, 4, 4-d8 (9CI). This chemical's molecular formula is C4D8O and molecular weight is 80.16. What's more, its systematic name is (2H8)Butan-2-one.

Physical properties about 2-Butanone-d8 are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.468; (4)ACD/LogD (pH 7.4): 0.468; (5)ACD/BCF (pH 5.5): 1.335; (6)ACD/BCF (pH 7.4): 1.335; (7)ACD/KOC (pH 5.5): 42.806; (8)ACD/KOC (pH 7.4): 42.806; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.367; (14)Molar Refractivity: 20.61 cm3; (15)Molar Volume: 91.682 cm3; (16)Polarizability: 8.17×10-24 cm3; (17)Surface Tension: 21.041 dyne/cm; (18)Density: 0.874 g/cm3; (19)Enthalpy of Vaporization: 31.3 kJ/mol; (20)Boiling Point: 75.621 °C at 760 mmHg; (21)Vapour Pressure: 114.518 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])C([2H])([2H])[2H]
(2) InChI: InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3/i1D3,2D3,3D2
(3) InChIKey: ZWEHNKRNPOVVGH-AUOAYUKBEP