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| CAS No.: | 121138-01-0 |
|---|---|
| Name: | 3-IODO-TETRAHYDRO-FURAN |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H7IO |
| Molecular Weight: | 198.003 |
| Synonyms: | 3-IODO-TETRAHYDRO-FURAN |
| Density: | 1.931 g/cm3 |
| Boiling Point: | 187.021 °C at 760 mmHg |
| Flash Point: | 66.908 °C |
| PSA: | 9.23000 |
| LogP: | 1.21030 |
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Specification
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