Product Name

Furo[3,4-d]-1,3-dioxol-4-ol,tetrahydro-2,2-dimethyl-, (3αR,6αR)- Specification

The Furo[3, 4-d]-1, 3-dioxol-4-ol, tetrahydro-2, 2-dimethyl-, (3αR, 6αR)-, with the CAS registry number 189996-60-9, is also known as 2, 3-O-Isopropylidene-D-erythrose. This chemical's molecular formula is C7H12O4 and molecular weight is 160.1678. What's more, its systematic name is (3αR, 6αR)-2, 2-Dimethyl-3α, 4, 6, 6α-tetrahydrofuro[3, 4-d][1, 3]dioxol-6-ol.

Physical properties about Furo[3, 4-d]-1, 3-dioxol-4-ol, tetrahydro-2, 2-dimethyl-, (3αR, 6αR)- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 57; (8)ACD/KOC (pH 7.4): 57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.92 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 36.839 cm3; (15)Molar Volume: 131.482 cm3; (16)Polarizability: 14.604×10-24 cm3; (17)Surface Tension: 40.916 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 111.223 °C; (20)Enthalpy of Vaporization: 57.838 kJ/mol; (21)Boiling Point: 260.295 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(OC2COC(C2O1)O)C
(2) InChI: InChI=1/C7H12O4/c1-7(2)10-4-3-9-6(8)5(4)11-7/h4-6,8H,3H2,1-2H3/t4-,5-,6?/m1/s1
(3) InChIKey: MBZCXOZTJSRAOQ-QYRBDRAABH

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