1.0 2010-04-08 22:09:56 UTC 2015-07-20 22:45:35 UTC FDB011987 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid Food additive; residue present in orthomycin antibiotics 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid Dichloroisoeverninic acid C9H8Cl2O4 251.063 249.979964158 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 4101-80-8 COC1=C(Cl)C(O)=C(Cl)C(C)=C1C(O)=O InChI=1S/C9H8Cl2O4/c1-3-4(9(13)14)8(15-2)6(11)7(12)5(3)10/h12H,1-2H3,(H,13,14) OWBYFBKXWVZEQW-UHFFFAOYSA-N belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. O-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 3-halobenzoic acids Alkyl aryl ethers Anisoles Aryl chlorides Benzoyl derivatives Carboxylic acids Dichlorobenzenes Dichlorobenzoic acids Halobenzoic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives Meta cresols Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-chlorophenols Organic oxides Organochlorides Phenoxy compounds Toluenes 1,3-dichlorobenzene 2-chlorophenol 2-halophenol 3,5-dichlorobenzoic acid 3-halobenzoic acid 3-halobenzoic acid or derivatives Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Chlorobenzene Ether Halobenzene Halobenzoic acid Halobenzoic acid or derivatives Hydrocarbon derivative Hydroxybenzoic acid M-cresol Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives O-methoxybenzoic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Toluene logp 3.33 ALOGPS logs -2.83 ALOGPS solubility 3.74e-01 g/l ALOGPS melting_point Mp 129-130° logp 2.89 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic -5 ChemAxon iupac 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid ChemAxon average_mass 251.063 ChemAxon mono_mass 249.979964158 ChemAxon smiles COC1=C(Cl)C(O)=C(Cl)C(C)=C1C(O)=O ChemAxon formula C9H8Cl2O4 ChemAxon inchi InChI=1S/C9H8Cl2O4/c1-3-4(9(13)14)8(15-2)6(11)7(12)5(3)10/h12H,1-2H3,(H,13,14) ChemAxon inchikey OWBYFBKXWVZEQW-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 56.41 ChemAxon polarizability 22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16172 Specdb::CMs 43523 Specdb::CMs 160446 Specdb::MsMs 100206 Specdb::MsMs 100207 Specdb::MsMs 100208 Specdb::MsMs 165471 Specdb::MsMs 165472 Specdb::MsMs 165473 Specdb::MsMs 2778811 Specdb::MsMs 2778812 Specdb::MsMs 2778813 Specdb::MsMs 2903940 Specdb::MsMs 2903941 Specdb::MsMs 2903942 HMDB33822 #<Reference:0x000055ce32fb7d80>