3-Isoxazolecarboxylicacid, 4-methyl- (215872-46-1)

The CAS register number of 4-Methylisoxazole-3-carboxylic acid is 215872-46-1. It also can be called as 3-Isoxazolecarboxylicacid, 4-methyl- and the systematic name about this chemical is 4-methyl-1,2-oxazole-3-carboxylic acid.

Physical properties about 4-Methylisoxazole-3-carboxylic acid are: (1)ACD/LogP: 1.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.33Ų; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 28.399 cm³; (12)Molar Volume: 94.256 cm³; (13)Polarizability: 11.258x10^-24cm³; (14)Surface Tension: 53.715 dyne/cm; (15)Enthalpy of Vaporization: 58.12 kJ/mol; (16)Boiling Point: 309.684 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nocc1C
(2)InChI: InChI=1/C5H5NO3/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)
(3)InChIKey: OFLBJRPOLLXDSC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H5NO3/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)
(5)Std. InChIKey: OFLBJRPOLLXDSC-UHFFFAOYSA-N