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CAS No.: | 68213-74-1 |
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Name: | tetrahydro-2,5-dioxofuran-3-sulphonic acid |
Molecular Structure: | |
Formula: | C4H4O6S |
Molecular Weight: | 180.136 |
Synonyms: | Sulfosuccinicanhydride;2,5-Dioxotetrahydrofuran-3-sulfonic acid; |
EINECS: | 269-259-7 |
Density: | 1.89 g/cm3 |
PSA: | 106.12000 |
LogP: | -0.20290 |
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The 3-Furansulfonic acid, tetrahydro-2, 5-dioxo-, with the CAS registry number 68213-74-1, is also known as 2, 5-Dioxotetrahydrofuran-3-sulfonic acid. Its EINECS registry number is 269-259-7. This chemical's molecular formula is C4H4O6S and molecular weight is 180.13596. What's more, its IUPAC name is 2, 5-Dioxooxolane-3-sulfonic acid.
Physical properties about 3-Furansulfonic acid, tetrahydro-2, 5-dioxo- are: (1)ACD/LogP: -3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.87; (4)ACD/LogD (pH 7.4): -6.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 95.12 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 30.82 cm3; (15)Molar Volume: 95.2 cm3; (16)Polarizability: 12.21×10-24 cm3; (17)Surface Tension: 81.2 dyne/cm; (18)Density: 1.89 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)C(S(=O)(=O)O)C1
(2) InChI: InChI=1/C4H4O6S/c5-3-1-2(4(6)10-3)11(7,8)9/h2H,1H2,(H,7,8,9)
(3) InChIKey: SVSLTKACVXNABI-UHFFFAOYAQ