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2680-00-4

Basic Information
CAS No.: 2680-00-4
Name: ETHYLENE-D1
Article Data: 21
Molecular Structure:
Molecular Structure of 2680-00-4 (ETHYLENE-D1)
Formula: C2H3D
Molecular Weight: 29.0458
Synonyms: Ethylene-d(6CI,7CI,8CI);Deuterioethylene;Deuteroethylene;Ethene (C2H3D);Ethene-d1;Ethylene-d1;
Density: 0.499 g/cm3
Melting Point: -169 °C(lit.)
Boiling Point: -104 °C(lit.)
PSA: 0.00000
LogP: 0.80220
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Specification

The Ethene-d (9CI), with CAS registry number 2680-00-4, belongs to the following product categories: (1)Alphabetical Listings; (2)E-FStable Isotopes; (3)Gases; (4)Stable Isotopes. It has the systematic name of (2H1)ethene. And the chemical formula of this chemical is C2H3D.

Physical properties of Ethene-d (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: 0.499 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]\C=C
(2)InChI: InChI=1/C2H4/c1-2/h1-2H2/i1D
(3)InChIKey: VGGSQFUCUMXWEO-MICDWDOJEF
(4)Std. InChI: InChI=1S/C2H4/c1-2/h1-2H2/i1D
(5)Std. InChIKey: VGGSQFUCUMXWEO-MICDWDOJSA-N