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182249-78-1

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Basic Information
CAS No.: 182249-78-1
Name: 2-BUTENE-2,3-D2 (GAS) (CIS/TRANS MIXTURE)
Article Data: 2
Molecular Structure:
Molecular Structure of 182249-78-1 (2-BUTENE-2,3-D2 (GAS) (CIS/TRANS MIXTURE))
Formula: C4H6D2
Molecular Weight: 58.0916
Synonyms: 2-BUTENE-2,3-D2 (GAS) (CIS/TRANS MIXTURE);2-BUTENE-2,3-D2;2-Butene-2,3-D2 (gas)
Density: 0.648g/cm3
PSA: 0.00000
LogP: 1.58240
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Specification

The 2-Butene-2,3-d2 (9CI), with CAS registry number 182249-78-1, has the systematic name of (1,1-2H2)But-1-ene. Besides this, it is also called 1-butene-1,1-d2. And the chemical formula of this chemical is C4H6D2.

Physical properties of 2-Butene-2,3-d2 (9CI): (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.337; (4)ACD/LogD (pH 7.4): 2.337; (5)ACD/BCF (pH 5.5): 35.149; (6)ACD/BCF (pH 7.4): 35.149; (7)ACD/KOC (pH 5.5): 444.817; (8)ACD/KOC (pH 7.4): 444.817; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.371; (14)Molar Refractivity: 20.306 cm3; (15)Molar Volume: 89.656 cm3; (16)Polarizability: 8.05×10-24cm3; (17)Surface Tension: 16.354 dyne/cm; (18)Density: 0.648 g/cm3; (19)Enthalpy of Vaporization: 22.07 kJ/mol;  (20)Vapour Pressure: 2213.905 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C(=CCC)[2H]
(2)InChI: InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1D2
(3)InChIKey: VXNZUUAINFGPBY-DICFDUPAET
(4)Std. InChI: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1D2
(5)Std. InChIKey: VXNZUUAINFGPBY-DICFDUPASA-N