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1517-51-7

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Basic Information
CAS No.: 1517-51-7
Name: PROPENE (3,3,3-D3)
Article Data: 1
Molecular Structure:
Molecular Structure of 1517-51-7 (PROPENE (3,3,3-D3))
Formula: C3H3D3
Molecular Weight: 45.0568
Synonyms: Propene-3,3,3-d3(6CI,7CI,8CI);3,3,3-Trideuterio-1-propene;3,3,3-Trideuteriopropene;3,3,3-Trideuteropropene;
Density: 0.617 g/cm3
PSA: 0.00000
LogP: 1.19230
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Specification

This chemical is called 1-Propene-3,3,3-d3, and its systematic name is (3,3,3-2H3)Prop-1-ene. With the molecular formula of C3H3D3, its molecular weight is 45.10. The CAS registry number of this chemical is 1517-51-7.

Other characteristics of the 1-Propene-3,3,3-d3 can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.827; (4)ACD/LogD (pH 7.4): 1.827; (5)ACD/BCF (pH 5.5): 14.411; (6)ACD/BCF (pH 7.4): 14.411; (7)ACD/KOC (pH 5.5): 234.973; (8)ACD/KOC (pH 7.4): 234.973; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.348; (13)Molar Refractivity: 15.673 cm3; (14)Molar Volume: 73.149 cm3; (15)Polarizability: 6.213×10-24cm3; (16)Surface Tension: 13.615 dyne/cm; (17)Density: 0.617 g/cm3; (18)Flash Point: °C; (19)Enthalpy of Vaporization: 18.42 kJ/mol; (20)Boiling Point: °C at 760 mmHg Vapour; (21)Pressure: 8476.793 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]C([2H])([2H])C=C
2.InChI: InChI=1/C3H6/c1-3-2/h3H,1H2,2H3/i2D3
3.InChIKey: QQONPFPTGQHPMA-BMSJAHLVEN