The Good Scents Company - 3D molecule Catalog information

IUPAC Name :1-(2-methylphenyl)ethanone

InChI :InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

Std.InChI: InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

InChIKey :YXWWHNCQZBVZPV-UHFFFAOYAO

Std.InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N

SMILES :CC1=CC=CC=C1C(=O)C

MDL: MFCD00008734

Molar Refractivity :41.10 ± 0.3 cm3 (est)

Parachor :330.1 ± 4.0 cm3 (est)

Index of Refraction :1.510 ± 0.02 (est)

Surface Tension :33.4 ± 3.0 dyne/cm (est)

Density :0.977 ± 0.06 g/cm3 (est)

Polarizability :16.29 ± 0.5 10-24cm3 (est)