3-Iodotetrahydrofuran (121138-01-0)

The 3-Iodotetrahydrofuran, with CAS registry number 121138-01-0, has the systematic name of 3-iodotetrahydrofuran. And the chemical formula of this chemical is C₄H₇IO. And its molecular weight is 198.00.

Physical properties about this chemical are: (1)ACD/LogP: 1.20; (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): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 33.164 cm³; (15)Molar Volume: 102.557 cm³; (16)Polarizability: 13.147×10^-24cm³; (17)Surface Tension: 37.973 dyne/cm; (18)Enthalpy of Vaporization: 40.59 kJ/mol; (19)Vapour Pressure: 0.886 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: IC1CCOC1
(2)InChI: InChI=1/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2
(3)InChIKey: BKIQORJIKOPRCG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2
(5)Std. InChIKey: BKIQORJIKOPRCG-UHFFFAOYSA-N