1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:06 UTC FDB018392 Samin Isolated from sesame seed oil (Sesamum species) Samin [?samin] is a village in the administrative district of Gmina Bartniczka, within Brodnica County, Kuyavian-Pomeranian Voivodeship, in north-central Poland. Samin is found in fats and oils. C13H14O5 250.2473 250.084123558 4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol 4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol OC1OCC2C1COC2C1=CC2=C(OCO2)C=C1 InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2 DRUQKRWRXOUEGS-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Benzenoids Dialkyl ethers Furofurans Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furofuran Hemiacetal Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 0.75 ALOGPS logs -1.38 ALOGPS solubility 1.03e+01 g/l ALOGPS melting_point Mp 106° logp 0.78 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol ChemAxon average_mass 250.2473 ChemAxon mono_mass 250.084123558 ChemAxon smiles OC1OCC2C1COC2C1=CC2=C(OCO2)C=C1 ChemAxon formula C13H14O5 ChemAxon inchi InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2 ChemAxon inchikey DRUQKRWRXOUEGS-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 60.52 ChemAxon polarizability 24.97 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20329 Specdb::CMs 46152 Specdb::CMs 146423 Specdb::MsMs 97428 Specdb::MsMs 97429 Specdb::MsMs 97430 Specdb::MsMs 162153 Specdb::MsMs 162154 Specdb::MsMs 162155 Specdb::MsMs 3058402 Specdb::MsMs 3058403 Specdb::MsMs 3058404 Specdb::MsMs 3107945 Specdb::MsMs 3107946 Specdb::MsMs 3107947 Specdb::NmrOneD 30102 Specdb::NmrOneD 30103 Specdb::NmrOneD 30104 Specdb::NmrOneD 30105 Specdb::NmrOneD 30106 Specdb::NmrOneD 30107 Specdb::NmrOneD 30108 Specdb::NmrOneD 30109 Specdb::NmrOneD 30110 Specdb::NmrOneD 30111 Specdb::NmrOneD 30112 Specdb::NmrOneD 30113 Specdb::NmrOneD 30114 Specdb::NmrOneD 30115 Specdb::NmrOneD 30116 Specdb::NmrOneD 30117 Specdb::NmrOneD 30118 Specdb::NmrOneD 30119 Specdb::NmrOneD 30120 Specdb::NmrOneD 30121 HMDB38926 #<Reference:0x000055ce33469a90> Fats and oils Unknown generic