5-Methylisoxazole-3-carboxaldehyde

The CAS register number of 5-Methylisoxazole-3-carboxaldehyde is 62254-74-4. It also can be called as 3-Isoxazolecarboxaldehyde,5-methyl- and the IUPAC name about this chemical is 5-methyl-1,2-oxazole-3-carbaldehyde. The molecular formula about this chemical is C₅H₅NO₂ and molecular weight is 111.10. It belongs to the following product categories, such as Aldehydes; Oxazoles, Isoxazoles & Benzoxazoles; heterocyclic/Aliphatic series; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks; Heterocyclic Building Blocks; Isoxazoles and so on.

Physical properties about 5-Methylisoxazole-3-carboxaldehyde are: (1)ACD/LogP: 0.36; (2)ACD/LogD (pH 5.5): 0.359; (3)ACD/LogD (pH 7.4): 0.359; (4)ACD/BCF (pH 5.5): 1.103; (5)ACD/BCF (pH 7.4): 1.103; (6)ACD/KOC (pH 5.5): 37.33; (7)ACD/KOC (pH 7.4): 37.33; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.1Ų; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 28.222 cm³; (13)Molar Volume: 93.393 cm³; (14)Polarizability: 11.188x10^-24cm³; (15)Surface Tension: 42.248 dyne/cm; (16)Enthalpy of Vaporization: 45.939 kJ/mol; (17)Boiling Point: 222.918 °C at 760 mmHg; (18)Vapour Pressure: 0.099 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep away from sources of ignition and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(no1)C=O
(2)InChI: InChI=1/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
(3)InChIKey: OCOCVXUEFWNRJU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
(5)Std. InChIKey: OCOCVXUEFWNRJU-UHFFFAOYSA-N