1.02010-04-08 22:14:43 UTC2018-05-29 01:44:22 UTCFDB0199902-ButylfuranConstituent of numerous plant subspecies and cooked foods including chick pea and carob bean2-Butyl-furan2-n-BUTYL FURANFuran, 2-butyl-C8H12O124.1803124.0888150062-butylfuran2-butylfuran4466-24-4CCCCC1=CC=CO1InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3NWZIYQNUCXUJJJ-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.Heteroaromatic compoundsOrganic compoundsOrganoheterocyclic compoundsHeteroaromatic compoundsAromatic heteromonocyclic compoundsFuransHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsAromatic heteromonocyclic compoundFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacyclelogp3.48logs-2.72solubility2.36e-01 g/llogp2.72pka_strongest_basic-2.6iupac2-butylfuranaverage_mass124.1803mono_mass124.088815006smilesCCCCC1=CC=CO1formulaC8H12OinchiInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3inchikeyNWZIYQNUCXUJJJ-UHFFFAOYSA-Npolar_surface_area13.14refractivity37.45polarizability14.9rotatable_bond_count3acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsIr8876Specdb::MsIr8877Specdb::CMs3023Specdb::CMs28884Specdb::CMs102111Specdb::CMs152165Specdb::MsMs109644Specdb::MsMs109645Specdb::MsMs109646Specdb::MsMs177126Specdb::MsMs177127Specdb::MsMs177128Specdb::MsMs2834910Specdb::MsMs2834911Specdb::MsMs2834912Specdb::MsMs2870936Specdb::MsMs2870937Specdb::MsMs2870938HMDB40272#<Reference:0x0000555674b2ff50>fruitymildspicysweetwine