1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:18 UTC FDB018542 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one Constituent of Apium graveolens. 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is found in green vegetables. 7,8-Methylenedioxycoumarin 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one, 9CI C10H6O4 190.1522 190.02660868 2H,8H-[1,3]dioxolo[4,5-h]chromen-8-one 2H-[1,3]dioxolo[4,5-h]chromen-8-one 4361-93-7 O=C1OC2=C(C=CC3=C2OCO3)C=C1 InChI=1S/C10H6O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1-4H,5H2 OZRUEXJYRHKIJC-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Benzenoids Benzodioxoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Coumarin Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.21 ALOGPS logs -1.90 ALOGPS solubility 2.40e+00 g/l ALOGPS melting_point Mp 187-189° logp 1.41 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2H,8H-[1,3]dioxolo[4,5-h]chromen-8-one ChemAxon average_mass 190.1522 ChemAxon mono_mass 190.02660868 ChemAxon smiles O=C1OC2=C(C=CC3=C2OCO3)C=C1 ChemAxon formula C10H6O4 ChemAxon inchi InChI=1S/C10H6O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1-4H,5H2 ChemAxon inchikey OZRUEXJYRHKIJC-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 47.32 ChemAxon polarizability 17.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20808 Specdb::CMs 156234 Specdb::MsIr 8094 Specdb::MsIr 8095 Specdb::MsMs 11252 Specdb::MsMs 11253 Specdb::MsMs 11254 Specdb::MsMs 17924 Specdb::MsMs 17925 Specdb::MsMs 17926 Specdb::MsMs 2260891 Specdb::MsMs 2260892 Specdb::MsMs 2260893 Specdb::MsMs 3078177 Specdb::MsMs 3078178 Specdb::MsMs 3078179 Specdb::NmrOneD 30822 Specdb::NmrOneD 30823 Specdb::NmrOneD 30824 Specdb::NmrOneD 30825 Specdb::NmrOneD 30826 Specdb::NmrOneD 30827 Specdb::NmrOneD 30828 Specdb::NmrOneD 30829 Specdb::NmrOneD 30830 Specdb::NmrOneD 30831 Specdb::NmrOneD 30832 Specdb::NmrOneD 30833 Specdb::NmrOneD 30834 Specdb::NmrOneD 30835 Specdb::NmrOneD 30836 Specdb::NmrOneD 30837 Specdb::NmrOneD 30838 Specdb::NmrOneD 30839 Specdb::NmrOneD 30840 Specdb::NmrOneD 30841 HMDB39045 #<Reference:0x000055ce321b1600> Green vegetables Unknown generic