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CAS No.: | 23147-59-3 |
---|---|
Name: | Dihydroxyacetonedimer |
Molecular Structure: | |
Formula: | C6H12O6 |
Molecular Weight: | 180.158 |
Synonyms: | NSC72202; |
Density: | 1.505 g/cm3 |
Melting Point: | 144-145°C (lit.) |
Boiling Point: | 469.3 °C at 760 mmHg |
Flash Point: | 237.6 °C |
PSA: | 99.38000 |
LogP: | -2.60820 |
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The 3,6-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol, with the CAS registry number 23147-59-3, is also known as NSC72202. This chemical's molecular formula is C6H12O6 and molecular weight is 180.15588. Its IUPAC name is called 3,6-bis(hydroxymethyl)-1,4-dioxane-2,5-diol.
Physical properties of 3,6-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol: (1)ACD/LogP: -0.43; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 6; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 37.29 cm3; (7)Molar Volume: 119.6 cm3; (8)Surface Tension: 69 dyne/cm; (9)Density: 1.505 g/cm3; (10)Flash Point: 237.6 °C; (11)Enthalpy of Vaporization: 84.36 kJ/mol; (12)Boiling Point: 469.3 °C at 760 mmHg; (13)Vapour Pressure: 8.82E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1C(OC(C(O1)O)CO)O)O
(2)InChI: InChI=1S/C6H12O6/c7-1-3-5(9)12-4(2-8)6(10)11-3/h3-10H,1-2H2
(3)InChIKey: HQAMJDIBKAKYMU-UHFFFAOYSA-N