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66033-92-9

Basic Information
CAS No.: 66033-92-9
Name: 3-METHYL-1,2-BENZISOXAZOL-6-OL
Article Data: 6
Molecular Structure:
Molecular Structure of 66033-92-9 (3-METHYL-1,2-BENZISOXAZOL-6-OL)
Formula: C8H7NO2
Molecular Weight: 149.1467
Synonyms: 3-Methylbenzo[d]isoxazol-6-ol;
Density: 1.305 g/cm3
Boiling Point: 310.9 °C at 760 mmHg
Flash Point: 141.8 °C
PSA: 46.26000
LogP: 1.84180
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Specification

The 1,2-Benzisoxazol-6-ol,3-methyl-, with the CAS registry number 66033-92-9, is also known as 3-Methylbenzo[d]isoxazol-6-ol. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.1467. Its systematic name is called 3-methyl-1,2-benzisoxazol-6-ol.

Physical properties of 1,2-Benzisoxazol-6-ol,3-methyl-: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.29; (5)ACD/BCF (pH 7.4): 5.91; (6)ACD/KOC (pH 5.5): 129.74; (7)ACD/KOC (pH 7.4): 121.96; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 41.19 cm3; (13)Molar Volume: 114.2 cm3; (14)Surface Tension: 55.4 dyne/cm; (15)Density: 1.305 g/cm3; (16)Flash Point: 141.8 °C; (17)Enthalpy of Vaporization: 57.38 kJ/mol; (18)Boiling Point: 310.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000319 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2c(c1)onc2C
(2)InChI: InChI=1/C8H7NO2/c1-5-7-3-2-6(10)4-8(7)11-9-5/h2-4,10H,1H3
(3)InChIKey: IZKYNZFXZSIBLH-UHFFFAOYAG