1.0 2010-04-08 22:13:05 UTC 2019-11-26 03:14:49 UTC FDB017420 Peperinic acid Isolated from aged peppermint oil. Peperinic acid is found in herbs and spices. (-)-Menthofuran oxide 2,4,5,6,7,7a-Hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone 3-Hydroxy-4(8)-ene-p-menthane-3(9)-lactone 3-Hydroxy-p-menth-4(8)-en-9,3-olide d-Menthofuranoxide C10H14O3 182.2164 182.094294314 7a-hydroxy-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one 7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one 514-93-2 CC1CCC2=C(C)C(=O)OC2(O)C1 InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3 LBNWZGLSMCTAQB-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aliphatic heteropolycyclic compounds Butenolides Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Hemiacetals Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Benzofuran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dihydrofuran Enoate ester Hemiacetal Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.04 ALOGPS logs -0.67 ALOGPS solubility 3.88e+01 g/l ALOGPS melting_point Mp 191° (188-189°) logp 1.96 ChemAxon pka_strongest_acidic 11.26 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 7a-hydroxy-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one ChemAxon average_mass 182.2164 ChemAxon mono_mass 182.094294314 ChemAxon smiles CC1CCC2=C(C)C(=O)OC2(O)C1 ChemAxon formula C10H14O3 ChemAxon inchi InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3 ChemAxon inchikey LBNWZGLSMCTAQB-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 47.75 ChemAxon polarizability 19.29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74502 Specdb::MsMs 74503 Specdb::MsMs 74504 Specdb::MsMs 133902 Specdb::MsMs 133903 Specdb::MsMs 133904 Specdb::MsMs 2298807 Specdb::MsMs 2298808 Specdb::MsMs 2298809 Specdb::MsMs 2639239 Specdb::MsMs 2639240 Specdb::MsMs 2639241 Specdb::CMs 23167 Specdb::CMs 45717 Specdb::CMs 152638 Specdb::NmrOneD 25122 Specdb::NmrOneD 25123 Specdb::NmrOneD 25124 Specdb::NmrOneD 25125 Specdb::NmrOneD 25126 Specdb::NmrOneD 25127 Specdb::NmrOneD 25128 Specdb::NmrOneD 25129 Specdb::NmrOneD 25130 Specdb::NmrOneD 25131 Specdb::NmrOneD 25132 Specdb::NmrOneD 25133 Specdb::NmrOneD 25134 Specdb::NmrOneD 25135 Specdb::NmrOneD 25136 Specdb::NmrOneD 25137 Specdb::NmrOneD 25138 Specdb::NmrOneD 25139 Specdb::NmrOneD 25140 Specdb::NmrOneD 25141 HMDB38181 #<Reference:0x000055ce323f6730> Herbs and Spices Unknown generic