1.0 2010-04-08 22:05:34 UTC 2020-02-24 19:10:39 UTC FDB002896 Isoavocadienofuran Component of Avocatin X, a constituent of the seeds of Persea gratissima (avocado). Isoavocadienofuran is found in avocado and fruits. ((2-Methoxyphenyl)amino)-acetonitrile Acetonitrile, ((2-methoxyphenyl)amino)- Acetonitrile, o-anisidino- Isoavocadienofuran O-Anisidino-acetonitrile O-anisidinoacetonitrile C17H26O 246.3877 246.198365454 2-[(2E)-trideca-2,12-dien-1-yl]furan 2-[(2E)-trideca-2,12-dien-1-yl]furan 34227-09-3 C=CCCCCCCCC\C=C\CC1=CC=CO1 InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,11-13,15-16H,1,3-10,14H2/b12-11+ MSYUAPLTGWCVMJ-VAWYXSNFSA-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 compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 6.89 ALOGPS logs -4.80 ALOGPS solubility 3.87e-03 g/l ALOGPS logp 6.06 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-[(2E)-trideca-2,12-dien-1-yl]furan ChemAxon average_mass 246.3877 ChemAxon mono_mass 246.198365454 ChemAxon smiles C=CCCCCCCCC\C=C\CC1=CC=CO1 ChemAxon formula C17H26O ChemAxon inchi InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,11-13,15-16H,1,3-10,14H2/b12-11+ ChemAxon inchikey MSYUAPLTGWCVMJ-VAWYXSNFSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 80.02 ChemAxon polarizability 31.57 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24215 Specdb::CMs 145963 Specdb::MsMs 77922 Specdb::MsMs 77923 Specdb::MsMs 77924 Specdb::MsMs 138153 Specdb::MsMs 138154 Specdb::MsMs 138155 Specdb::MsMs 3053555 Specdb::MsMs 3053556 Specdb::MsMs 3053557 Specdb::MsMs 3116649 Specdb::MsMs 3116650 Specdb::MsMs 3116651 HMDB30927 #<Reference:0x000055ce2f3f9730> Avocado Type 1 specific Persea americana 3435 Fruits Unknown generic