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Cyclopentanone-d8 (7CI,8CI,9CI)

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Name

Cyclopentanone-d8 (7CI,8CI,9CI)

EINECS N/A
CAS No. 4477-17-2 Density 1.082 g/cm3
PSA 17.07000 LogP 1.12950
Solubility N/A Melting Point N/A
Formula C5D8O Boiling Point 130.457 °C at 760 mmHg
Molecular Weight 92.17 Flash Point 30.556 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4477-17-2 (CYCLOPENTANONE-D8) Hazard Symbols N/A
Synonyms

Octadeuterocyclopentanone;

Article Data 3

Cyclopentanone-d8 (7CI,8CI,9CI) 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

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