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4477-17-2

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Basic Information
CAS No.: 4477-17-2
Name: CYCLOPENTANONE-D8
Article Data: 3
Molecular Structure:
Molecular Structure of 4477-17-2 (CYCLOPENTANONE-D8)
Formula: C5D8O
Molecular Weight: 92.17
Synonyms: Octadeuterocyclopentanone;
Density: 1.082 g/cm3
Boiling Point: 130.457 °C at 760 mmHg
Flash Point: 30.556 °C
PSA: 17.07000
LogP: 1.12950
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Specification

The Cyclopentanone-d8 (7CI, 8CI, 9CI), with the CAS registry number of 4477-17-2, is also known as Cyclopentanone-d8. This chemical's molecular formula is C5D8O and molecular weight is 92.17.

Physical properties about Cyclopentanone-d8 (7CI, 8CI, 9CI) are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.293; (4)ACD/LogD (pH 7.4): 0.293; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.405; (8)ACD/KOC (pH 7.4): 34.405; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 23.189 cm3; (15)Molar Volume: 85.214 cm3; (16)Surface Tension: 34.01 dyne/cm; (17)Density: 1.082 g/cm3; (18)Flash Point: 30.556 °C; (19)Enthalpy of Vaporization: 36.35 kJ/mol; (20)Boiling Point: 130.457 °C at 760 mmHg; (21)Vapour Pressure: 9.702 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C1(C(=O)C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
(2) InChI: InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i1D2,2D2,3D2,4D2
(3) InChIKey: BGTOWKSIORTVQH-SVYQBANQEG