1.0 2010-04-08 22:14:40 UTC 2015-07-21 06:40:01 UTC FDB019906 Methyl (E)-2-nonenoate Flavouring ingredient 2-Nonenoic acid, methyl ester FEMA 2725 Methyl (2E)-2-nonenoate Methyl 2-nonenoate Methyl nonylenate METHYL-2-nonenoATE Neofolione C10H18O2 170.2487 170.13067982 methyl (2Z)-non-2-enoate methyl (2Z)-non-2-enoate 111-79-5 CCCCCC\C=C/C(=O)OC InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8- ZWNPUELCBZVMDA-HJWRWDBZSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.98 ALOGPS logs -3.57 ALOGPS solubility 4.54e-02 g/l ALOGPS logp 3.52 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2Z)-non-2-enoate ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CCCCCC\C=C/C(=O)OC ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8- ChemAxon inchikey ZWNPUELCBZVMDA-HJWRWDBZSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 50.74 ChemAxon polarizability 20.85 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23890 Specdb::CMs 159367 Specdb::MsIr 8750 Specdb::MsIr 8751 Specdb::MsMs 318934 Specdb::MsMs 318935 Specdb::MsMs 318936 Specdb::MsMs 365881 Specdb::MsMs 365882 Specdb::MsMs 365883 Specdb::MsMs 2424607 Specdb::MsMs 2424608 Specdb::MsMs 2424609 Specdb::MsMs 2514946 Specdb::MsMs 2514947 Specdb::MsMs 2514948 HMDB40194 #<Reference:0x000055ce324ae9c0> fruity green melon pear sweet vegetable violet waxy