The Hexitol,2,5-anhydro-3,4-dideoxy-, with the CAS registry number 104-80-3, is also known as 2,5-Dihydroxymethyltetrahydrofuran. It belongs to the product categories of Heterocycles series; Detergents; Aldehydes; Intermediates & Fine Chemicals; Mutagenes is Research Chemicals; Pharmaceuticals. Its EINECS registry number is 203-239-0. This chemical's molecular formula is C6H12O3 and molecular weight is 132.16. What's more, both its IUPAC name and systematic name are the same which is called [5-(Hydroxymethyl)tetrahydrofuran-2-yl]methanol.
Physical properties about Hexitol,2,5-anhydro-3,4-dideoxy- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 49.69 Å2; (6)Index of Refraction: 1.468; (7)Molar Refractivity: 32.5 cm3; (8)Molar Volume: 116.9 cm3; (9)Polarizability: 12.88×10-24 cm3; (10)Surface Tension: 47.5 dyne/cm; (11)Density: 1.13 g/cm3; (12)Flash Point: 112 °C; (13)Enthalpy of Vaporization: 58 kJ/mol; (14)Boiling Point: 261.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00163 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1CCC(CO)O1
(2)InChI: InChI=1/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2
(3)InChIKey: YCZZQSFWHFBKMU-UHFFFAOYAD
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