1.0 2010-04-08 22:15:06 UTC 2015-07-21 06:46:18 UTC FDB020541 2,7-Oxepanedione Food starch esterification agent 2,7-Oxepanedione, 9CI Adipic anhydride Butanedicarboxylic anhydride Hexanedioic acid anhydride Hexanedioic anhydride C6H8O3 128.1259 128.047344122 oxepane-2,7-dione oxepane-2,7-dione 2035-75-8 O=C1CCCCC(=O)O1 InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2 JPSKCQCQZUGWNM-UHFFFAOYSA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Lactones Organic compounds Organoheterocyclic compounds Lactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid anhydrides Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Aliphatic heteromonocyclic compound Caprolactone Carbonyl group Carboxylic acid anhydride Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Liquid logp 0.44 ALOGPS logs -0.26 ALOGPS solubility 6.97e+01 g/l ALOGPS melting_point Mp 22° logp 0.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac oxepane-2,7-dione ChemAxon average_mass 128.1259 ChemAxon mono_mass 128.047344122 ChemAxon smiles O=C1CCCCC(=O)O1 ChemAxon formula C6H8O3 ChemAxon inchi InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2 ChemAxon inchikey JPSKCQCQZUGWNM-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 29.53 ChemAxon polarizability 12.18 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19336 Specdb::CMs 172702 Specdb::MsIr 9074 Specdb::MsIr 9075 Specdb::MsMs 101694 Specdb::MsMs 101695 Specdb::MsMs 101696 Specdb::MsMs 167355 Specdb::MsMs 167356 Specdb::MsMs 167357 Specdb::MsMs 2789254 Specdb::MsMs 2789255 Specdb::MsMs 2789256 Specdb::MsMs 2919221 Specdb::MsMs 2919222 Specdb::MsMs 2919223 Specdb::NmrOneD 43122 Specdb::NmrOneD 43123 Specdb::NmrOneD 43124 Specdb::NmrOneD 43125 Specdb::NmrOneD 43126 Specdb::NmrOneD 43127 Specdb::NmrOneD 43128 Specdb::NmrOneD 43129 Specdb::NmrOneD 43130 Specdb::NmrOneD 43131 Specdb::NmrOneD 43132 Specdb::NmrOneD 43133 Specdb::NmrOneD 43134 Specdb::NmrOneD 43135 Specdb::NmrOneD 43136 Specdb::NmrOneD 43137 Specdb::NmrOneD 43138 Specdb::NmrOneD 43139 Specdb::NmrOneD 43140 Specdb::NmrOneD 43141 HMDB40732 #<Reference:0x000055ce330a3a00>