Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,2-(5-isoxazolyl)-4-methyl- |
EINECS | N/A |
CAS No. | 104516-57-6 | Density | 1.204 g/cm3 |
PSA | 46.26000 | LogP | 2.35560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO2 | Boiling Point | 319.5 °C at 760 mmHg |
Molecular Weight | 175.18 | Flash Point | 147 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Isoxazol-5-yl)-4-methylphenol;2-(5-Isoxazolyl)-4-methylphenol; |
Article Data | 5 |
The Phenol,2-(5-isoxazolyl)-4-methyl-, with the CAS registry number 104516-57-6, is also known as 2-(5-Isoxazolyl)-4-methylphenol. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. What's more, its systematic name is 2-Isoxazol-5-yl-4-methyl-phenol.
Physical properties of Phenol,2-(5-isoxazolyl)-4-methyl- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.24; (6)ACD/BCF (pH 7.4): 14.91; (7)ACD/KOC (pH 5.5): 244.57; (8)ACD/KOC (pH 7.4): 239.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 47.94 cm3; (15)Molar Volume: 145.4 cm3; (16)Polarizability: 19×10-24 cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 58.35 kJ/mol; (21)Boiling Point: 319.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00018 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(c1)c2ccno2)O
(2)InChI: InChI=1/C10H9NO2/c1-7-2-3-9(12)8(6-7)10-4-5-11-13-10/h2-6,12H,1H3
(3)InChIKey: OZKYVNKXVHASGF-UHFFFAOYSA-N