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7299-37-8

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Basic Information
CAS No.: 7299-37-8
Name: METHYLACETYLENE-D1
Article Data: 11
Molecular Structure:
Molecular Structure of 7299-37-8 (METHYLACETYLENE-D1)
Formula: C3H3D
Molecular Weight: 41.0568
Synonyms: 1-Deuteropropyne;
Density: 0.664 g/cm3
PSA: 0.00000
LogP: 0.63950
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Specification

The 1-Propyne-1-d, with the CAS registry number 7299-37-8, is also known as 1-Deuteropropyne. This chemical's molecular formula is C3H3D and molecular weight is 41.07. What's more, its systematic name is (1-2H)Prop-1-yne.

Physical properties about 1-Propyne-1-d are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.561; (6)ACD/BCF (pH 7.4): 4.561; (7)ACD/KOC (pH 5.5): 103.123; (8)ACD/KOC (pH 7.4): 103.123; (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: 1.364; (14)Molar Refractivity: 13.775 cm3; (15)Molar Volume: 61.82 cm3; (16)Polarizability: 5.461×10-24 cm3; (17)Surface Tension: 19.858 dyne/cm; (18)Density: 0.664 g/cm3; (19)Enthalpy of Vaporization: 21.616 kJ/mol; (20)Vapour Pressure: 4565.725 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C#CC
(2) InChI: InChI=1/C3H4/c1-3-2/h1H,2H3/i1D
(3) InChIKey: MWWATHDPGQKSAR-MICDWDOJEJ