Isoxazole, 5-methoxy- supplier

Name
5-methoxyisoxazole
EINECS
CAS No. 31681-57-9
Article Data2
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point 7 °C
Formula C₄H₅NO₂
Boiling Point 158.9 °C at 760 mmHg
Molecular Weight 99.09
Flash Point 49.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-methoxyisoxazole;
PSA 35.26000
LogP 0.68320

Isoxazole, 5-methoxy- Specification

The Isoxazole, 5-methoxy-, with the CAS registry number 31681-57-9, is also known as 5-Methoxyisoxazole. This chemical's molecular formula is C₄H₅NO₂ and molecular weight is 99.09. What's more, its systematic name is 5-methoxy-1,2-oxazole.

Physical properties of Isoxazole, 5-methoxy- are: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.69; (7)ACD/KOC (pH 7.4): 23.69; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.26 Å²; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 23.32 cm³; (14)Molar Volume: 89.4 cm³; (15)Polarizability: 9.24×10^-24cm³; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 1.107 g/cm³; (18)Flash Point: 49.9 °C; (19)Enthalpy of Vaporization: 37.93 kJ/mol; (20)Boiling Point: 158.9 °C at 760 mmHg; (21)Vapour Pressure: 3.33 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccno1
(2)InChI: InChI=1S/C4H5NO2/c1-6-4-2-3-5-7-4/h2-3H,1H3
(3)InChIKey: GGQZKDXGZUMYSS-UHFFFAOYSA-N

Product Name

5-methoxyisoxazole

Isoxazole, 5-methoxy- Specification

Related Products

Hot Products