1,2-Benzisoxazol-6-ol (65685-55-4)

The CAS register number of 1,2-Benzisoxazol-6-ol is 65685-55-4. It also can be called as Benzo[d]isoxazol-6-ol and the systematic name about this chemical is 2H-1,2-benzoxazol-6-one. The molecular formula about this chemical is C₇H₅NO₂ and the molecular weight is 135.12.

Physical properties about 1,2-Benzisoxazol-6-ol are: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): 1.388; (3)ACD/LogD (pH 7.4): 1.355; (4)ACD/BCF (pH 5.5): 6.674; (5)ACD/BCF (pH 7.4): 6.195; (6)ACD/KOC (pH 5.5): 135.397; (7)ACD/KOC (pH 7.4): 125.675; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.26Ų; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 36.368 cm³; (14)Molar Volume: 97.997 cm³; (15)Polarizability: 14.417x10^-24cm³; (16)Surface Tension: 61.335 dyne/cm; (17)Enthalpy of Vaporization: 56.148 kJ/mol; (18)Boiling Point: 299.867 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnoc2cc1O
(2)InChI: InChI=1/C7H5NO2/c9-6-2-1-5-4-8-10-7(5)3-6/h1-4,9H
(3)InChIKey: OBSZDVDXNVEDKQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H5NO2/c9-6-2-1-5-4-8-10-7(5)3-6/h1-4,9H
(5)Std. InChIKey: OBSZDVDXNVEDKQ-UHFFFAOYSA-N