IUPAC Name :4-[3-(2,5-dihydro-1,2-oxazol-4-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one
InChI :InChI=1/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
Std.InChI: InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
InChIKey :IYMLUHWAJFXAQP-UHFFFAOYAV
Std.InChIKey: IYMLUHWAJFXAQP-UHFFFAOYSA-N
SMILES :Oc1n(C)ncc1C(=O)c2ccc(c(c2C)C=3CCON=3)S(C)(=O)=O
MDL: MFCD09953760
Molar Refractivity :90.99 ± 0.5 cm3 (est)
Parachor :670.4 ± 8.0 cm3 (est)
Index of Refraction :1.670 ± 0.05
(est)
Surface Tension :57.4 ± 7.0 dyne/cm (est)
Density :1.49 ± 0.1 g/cm3 (est)
Polarizability :36.07 ± 0.5 10-24cm3 (est)