5-Methoxy-2-methyl-benzooxazole supplier

Name
5-METHOXY-2-METHYLBENZODOXAZOLE
EINECS 227-134-4
CAS No. 5676-57-3
Article Data17
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point 32-34℃ (ethyl ether hexane )
Formula C₉H₉NO₂
Boiling Point 250 °C at 760 mmHg
Molecular Weight 163.176
Flash Point 105 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methoxy-2-methylbenzoxazole;Benzoxazole, 5-methoxy-2-methyl-;
PSA 35.26000
LogP 2.14480

5-Methoxy-2-methyl-benzooxazole Specification

The 5-Methoxy-2-methyl-benzooxazole, with the CAS registry number 5676-57-3, is also known as benzoxazole, 5-methoxy-2-methyl-. Its molecular formula is C₉H₉NO₂ and its molecular weight is 163.1733. Additionally, its IUPAC name is 5-methoxy-2-methyl-1,3-benzoxazole.

Other characteristics of the 5-Methoxy-2-methyl-benzooxazole can be summarised as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.31; (6)ACD/BCF (pH 7.4): 12.32; (7)ACD/KOC (pH 5.5): 209.91; (8)ACD/KOC (pH 7.4): 210; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.26 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 45.98 cm³; (15)Molar Volume: 139.8 cm³; (16)Polarizability: 18.23×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 46.76 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0351 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c2cc(OC)ccc2oc1C
2.InChI: InChI=1/C9H9NO2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
3.InChIKey: WCXSVOWHNXWHRT-UHFFFAOYAN

Product Name

5-METHOXY-2-METHYLBENZODOXAZOLE

5-Methoxy-2-methyl-benzooxazole Specification

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