1.0 2010-04-08 22:09:50 UTC 2018-05-28 23:31:46 UTC FDB011804 Poppy acid Occurs in opium (Papaver somniferum) and other Papaver subspecies. 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 3-Hydroxy-4-oxopyran-2,6-dicarboxylic acid 3-Hydroxy-4-pyrone-2,6-dicarboxylic acid 4H-Pyran-2,6-dicarboxylic acid, 3-hydroxy-4-oxo- Meconic acid Opium acid Poppy acid C7H4O7 200.1025 199.995702482 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid 497-59-6 OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13) ZEGRKMXCOCRTCS-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Carboxylic acids Cyclic ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids Aromatic heteromonocyclic compound Carboxylic acid Carboxylic acid derivative Cyclic ketone Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyranone Vinylogous acid logp -0.20 ALOGPS logs -1.69 ALOGPS solubility 4.07e+00 g/l ALOGPS melting_point Mp 270° dec. logp -0.4 ChemAxon pka_strongest_acidic 1.69 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid ChemAxon average_mass 200.1025 ChemAxon mono_mass 199.995702482 ChemAxon smiles OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O ChemAxon formula C7H4O7 ChemAxon inchi InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13) ChemAxon inchikey ZEGRKMXCOCRTCS-UHFFFAOYSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 42.51 ChemAxon polarizability 15.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 121618 Specdb::NmrOneD 121619 Specdb::NmrOneD 121620 Specdb::NmrOneD 121621 Specdb::NmrOneD 121622 Specdb::NmrOneD 121623 Specdb::NmrOneD 121624 Specdb::NmrOneD 121625 Specdb::NmrOneD 121626 Specdb::NmrOneD 121627 Specdb::NmrOneD 121628 Specdb::NmrOneD 121629 Specdb::NmrOneD 121630 Specdb::NmrOneD 121631 Specdb::NmrOneD 121632 Specdb::NmrOneD 121633 Specdb::NmrOneD 121634 Specdb::NmrOneD 121635 Specdb::NmrOneD 121636 Specdb::NmrOneD 121637 Specdb::CMs 10820 Specdb::CMs 43448 Specdb::CMs 148971 Specdb::MsMs 8501 Specdb::MsMs 8502 Specdb::MsMs 8503 Specdb::MsMs 15173 Specdb::MsMs 15174 Specdb::MsMs 15175 Specdb::MsMs 2816590 Specdb::MsMs 2816591 Specdb::MsMs 2816592 Specdb::MsMs 2892947 Specdb::MsMs 2892948 Specdb::MsMs 2892949 Specdb::MsIr 6200 Specdb::MsIr 6201 Specdb::MsIr 6202 HMDB33695 #<Reference:0x000055ce322b0308>