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6755-54-0

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Basic Information
CAS No.: 6755-54-0
Name: ETHYLENE-1,1-D2
Article Data: 19
Molecular Structure:
Molecular Structure of 6755-54-0 (ETHYLENE-1,1-D2)
Formula: C2H2D2
Molecular Weight: 30.0379
Synonyms: Ethylene-1,1-d2(6CI,7CI,8CI);1,1-Dideuteroethene;gem-Ethylene-d2;
Density: 0.517 g/cm3
PSA: 0.00000
LogP: 0.80220
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Specification

The Ethene-1,1-d2 (9CI), with CAS registry number 6755-54-0, has the systematic name of (2H2)ethene. Besides this, it is also called ethene-d2. And the chemical formula of this chemical is C2H2D2.

Physical properties of Ethene-1,1-d2 (9CI): (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.89; (6)ACD/BCF (pH 7.4): 5.89; (7)ACD/KOC (pH 5.5): 123.92; (8)ACD/KOC (pH 7.4): 123.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.295; (14)Molar Refractivity: 10.7 cm3; (15)Molar Volume: 58.1 cm3; (16)Polarizability: 4.24×10-24cm3; (17)Surface Tension: 9.6 dyne/cm; (18)Density: 0.517 g/cm3; (19)Enthalpy of Vaporization: 15.7 kJ/mol; (20)Vapour Pressure: 43300 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]/C([2H])=C
(2)InChI: InChI=1/C2H4/c1-2/h1-2H2/i1D2
(3)InChIKey: VGGSQFUCUMXWEO-DICFDUPAEY
(4)Std. InChI: InChI=1S/C2H4/c1-2/h1-2H2/i1D2
(5)Std. InChIKey: VGGSQFUCUMXWEO-DICFDUPASA-N