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Basic Information
CAS No.: 66478-66-8
Name: 3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione
Article Data: 11
Molecular Structure:
Molecular Structure of 66478-66-8 (3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione)
Formula: C12H18O4
Molecular Weight: 226.273
Synonyms: LogP
Density: 1.08 g/cm3
Boiling Point: 331 °C at 760 mmHg
Flash Point: 144.1 °C
PSA: 52.60000
LogP: 1.98000
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Specification

The 3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione, with CAS registry number 66478-66-8, has the systematic name of 3,4-di-tert-butoxycyclobut-3-ene-1,2-dione. And the chemical formula of this chemical is C12H18O4.

Physical properties of 3,4-Di(tert-butoxy)-3-cyclobutene-1,2-dione: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.18; (6)ACD/BCF (pH 7.4): 5.18; (7)ACD/KOC (pH 5.5): 112.99; (8)ACD/KOC (pH 7.4): 112.99; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 58.74 cm3; (15)Molar Volume: 208.6 cm3; (16)Polarizability: 23.28× 10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Enthalpy of Vaporization: 57.36 kJ/mol; (19)Vapour Pressure: 0.000161 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)O/C1=C(\OC(C)(C)C)C(=O)C1=O
(2)InChI: InChI=1/C12H18O4/c1-11(2,3)15-9-7(13)8(14)10(9)16-12(4,5)6/h1-6H3
(3)InChIKey: GFBOYCVDBGFJFT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H18O4/c1-11(2,3)15-9-7(13)8(14)10(9)16-12(4,5)6/h1-6H3
(5)Std. InChIKey: GFBOYCVDBGFJFT-UHFFFAOYSA-N