1.0 2010-04-08 22:08:43 UTC 2018-05-28 23:24:45 UTC FDB009610 2-(2-Hydroxyphenyl) cyclopropanecarboxylic acid delta lactone It is used as a food additive . C10H8O2 160.172 160.052429498 (2S,4R)-6-oxatricyclo[5.4.0.0²,⁴]undeca-1(11),7,9-trien-5-one (2S,4R)-6-oxatricyclo[5.4.0.0²,⁴]undeca-1(11),7,9-trien-5-one 5617-64-1 [H][C@@]12C[C@]1([H])C1=CC=CC=C1OC2=O InChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1 BSNSPNHWEMGXBT-HTQZYQBOSA-N belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom). Benzoxepines Organic compounds Organoheterocyclic compounds Benzoxepines Aromatic heteropolycyclic compounds 1-benzopyrans 3,4-dihydrocoumarins Benzenoids Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran 3,4-dihydrocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Benzoxepine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.73 ALOGPS logs -2.37 ALOGPS solubility 6.86e-01 g/l ALOGPS logp 1.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac (2S,4R)-6-oxatricyclo[5.4.0.0²,⁴]undeca-1(11),7,9-trien-5-one ChemAxon average_mass 160.172 ChemAxon mono_mass 160.052429498 ChemAxon smiles [H][C@@]12C[C@]1([H])C1=CC=CC=C1OC2=O ChemAxon formula C10H8O2 ChemAxon inchi InChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1 ChemAxon inchikey BSNSPNHWEMGXBT-HTQZYQBOSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 43.18 ChemAxon polarizability 16.21 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101616 Specdb::MsMs 101617 Specdb::MsMs 101618 Specdb::MsMs 167259 Specdb::MsMs 167260 Specdb::MsMs 167261 Specdb::MsMs 3604978 Specdb::MsMs 3604979 Specdb::MsMs 3604980 Specdb::MsMs 3604981 Specdb::MsMs 3604982 Specdb::MsMs 3604983 52940 coumarin nutty vanilla