3(2H)-Benzofuranone,7-hydroxy-2,2-dimethyl- (17781-16-7)

The 3-Ketocarbofuranphenol, with CAS registry number 17781-16-7, belongs to the following product categories: (1)CA - CGEnvironmental Standards; (2)Alphabetic; (3)C; (4)Metabolites; (5)Pesticides&Metabolites. Its systematic name and its IUPAC name are the same, which is 7-hydroxy-2,2-dimethyl-1-benzofuran-3(2H)-one. And the chemical formula of this chemical is C₁₀H₁₀O_3.

Physical properties of 3-Ketocarbofuranphenol: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 19.59; (7)ACD/KOC (pH 5.5): 311.04; (8)ACD/KOC (pH 7.4): 285.55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 46.75 cm³; (15)Molar Volume: 142.9 cm³; (16)Polarizability: 18.53×10^-24cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Enthalpy of Vaporization: 57.79 kJ/mol; (19)Vapour Pressure: 0.000251 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Ketocarbofuranphenol irritates to eyes, respiratory system and skin. And this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C1c2cccc(O)c2OC1(C)C
(2)InChI: InChI=1/C10H10O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,11H,1-2H3
(3)InChIKey: XLZCZWCXCBPEJR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H10O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,11H,1-2H3
(5)Std. InChIKey: XLZCZWCXCBPEJR-UHFFFAOYSA-N