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| CAS No.: | 14771-00-7 |
|---|---|
| Name: | 5,6-Dihydroxybenzofuran-3-one |
| Molecular Structure: | |
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| Formula: | C8H6O4 |
| Molecular Weight: | 166.1308 |
| Synonyms: | NSC 226195;5,6-dihydroxy-1-benzofuran-3(2H)-one;3(2H)-benzofuranone, 5,6-dihydroxy-;5,6-Dihydroxybenzofuran-3-one;Benzo[b]tetrahydrofuran-3-one, 5,6-dihydroxy-; |
| Density: | 1.614 g/cm3 |
| Boiling Point: | 466.5 °C at 760 mmHg |
| Flash Point: | 203.5 °C |
| PSA: | 66.76000 |
| LogP: | 0.67290 |
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Specification
The 5,6-Dihydroxybenzofuran-3-one, with the cas registry number 14771-00-7, has the systematic name and IUPAC name of 5,6-dihydroxy-1-benzofuran-3(2H)-one. And the molecular formula of the chemical is C8H6O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.689; (8)Molar Refractivity: 39.31 cm3; (9)Molar Volume: 102.9 cm3; (10)Polarizability: 15.58×10-24cm3; (11)Surface Tension: 80.6 dyne/cm; (12)Density: 1.614 g/cm3; (13)Flash Point: 203.5 °C; (14)Enthalpy of Vaporization: 75.62 kJ/mol; (15)Boiling Point: 466.5 °C at 760 mmHg; (16)Vapour Pressure: 2.52E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c2cc(O)c(O)cc2OC1
(2)InChI: InChI=1/C8H6O4/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-2,9-10H,3H2
(3)InChIKey: RDRBEUXIJCFHCZ-UHFFFAOYAU