1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:49 UTC FDB011327 Anofinic acid Metabolite of Lactarius deliciosus. Anofinic acid is found in mushrooms. 1-Hydroxy-3',3'-dimethylchromene 2,2-Dimethyl-6-chromenecarboxylic acid Anofinic acid C12H12O3 204.2219 204.07864425 2,2-dimethyl-2H-chromene-6-carboxylic acid 2,2-dimethylchromene-6-carboxylic acid 34818-56-9 CC1(C)OC2=C(C=C1)C=C(C=C2)C(O)=O InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14) AXICIBPYBONRSP-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 2,2-dimethyl-1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Alkyl aryl ethers Benzenoids Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.05 ALOGPS logs -2.88 ALOGPS solubility 2.72e-01 g/l ALOGPS melting_point Mp 160° logp 2.53 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2,2-dimethyl-2H-chromene-6-carboxylic acid ChemAxon average_mass 204.2219 ChemAxon mono_mass 204.07864425 ChemAxon smiles CC1(C)OC2=C(C=C1)C=C(C=C2)C(O)=O ChemAxon formula C12H12O3 ChemAxon inchi InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14) ChemAxon inchikey AXICIBPYBONRSP-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 57.71 ChemAxon polarizability 21.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6056 Specdb::MsIr 6057 Specdb::MsIr 6058 Specdb::CMs 23703 Specdb::CMs 43217 Specdb::CMs 136451 Specdb::CMs 144185 Specdb::MsMs 11717 Specdb::MsMs 11718 Specdb::MsMs 11719 Specdb::MsMs 18389 Specdb::MsMs 18390 Specdb::MsMs 18391 Specdb::MsMs 2716411 Specdb::MsMs 2716412 Specdb::MsMs 2716413 Specdb::MsMs 2962560 Specdb::MsMs 2962561 Specdb::MsMs 2962562 HMDB33303 #<Reference:0x000055ce31c266e0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322