The Good Scents Company - 3D molecule Catalog information

IUPAC Name :furan-2-ylmethyl butanoate

InChI :InChI=1/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3

Std.InChI: InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3

InChIKey :IXISGRHWGVGCAK-UHFFFAOYAJ

Std.InChIKey: IXISGRHWGVGCAK-UHFFFAOYSA-N

SMILES :CCCC(=O)OCC1=CC=CO1

MDL: MFCD00082962

Molar Refractivity :43.77 ± 0.3 cm3 (est)

Parachor :381.9 ± 4.0 cm3 (est)

Index of Refraction :1.466 ± 0.02 (est)

Surface Tension :34.1 ± 3.0 dyne/cm (est)

Density :1.064 ± 0.06 g/cm3 (est)

Polarizability :17.35 ± 0.5 10-24cm3 (est)