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CAS No.: | 50976-18-6 |
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Name: | tetrahydrofurandiol |
Molecular Structure: | |
Formula: | C4H8O3 |
Molecular Weight: | 104.10 |
Synonyms: | Tetrahydrofurandiol; |
EINECS: | 256-876-1 |
Density: | 1.442 g/cm3 |
Boiling Point: | 236.5 °C at 760 mmHg |
Flash Point: | 96.8 °C |
PSA: | 49.69000 |
LogP: | -0.91400 |
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The Furandiol, tetrahydro-, with the CAS registry number 50976-18-6, is also known as Tetrahydrofurandiol. Its EINECS number is 256-876-1. This chemical's molecular formula is C4H8O3 and molecular weight is 104.10. What's more, its IUPAC name is oxolane-2,2-diol.
Physical properties of Furandiol, tetrahydro- are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.8; (8)ACD/KOC (pH 7.4): 4.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 23.13 cm3; (15)Molar Volume: 72.1 cm3; (16)Polarizability: 9.17×10-24cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 96.8 °C; (20)Enthalpy of Vaporization: 55.01 kJ/mol; (21)Boiling Point: 236.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00852 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1(O)OCCC1
(2)Std. InChI: InChI=1S/C4H8O3/c5-4(6)2-1-3-7-4/h5-6H,1-3H2
(3)Std. InChIKey: AEWLBYKVDXKPPN-UHFFFAOYSA-N