1.0 2016-09-30 22:41:07 UTC 2020-04-22 15:06:42 UTC BMDB0001101 BMDB01101 p-Anisic acid 4-Anisic acid Anisic acid Draconic acid p-Methoxybenzoic acid 4-Methoxybenzoic acid 4-Anisate Anisate Draconate p-Methoxybenzoate 4-Methoxybenzoate p-Anisate 4-Anisic acid, copper (+2) salt 4-Anisic acid, 14C-carboxy 4-Anisic acid, potassium salt 4-Anisic acid, sodium salt Para-anisic acid p-Anisic acid C8H8O3 152.1473 152.047344122 4-methoxybenzoic acid P-anisic acid 100-09-4 COC1=CC=C(C=C1)C(O)=O InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) ZEYHEAKUIGZSGI-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives P-methoxybenzoic acids and derivatives Alkyl aryl ethers Anisoles Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound Aromatic homomonocyclic compounds methoxybenzoic acid Solid melting_point 185 °C water_solubility 0.53 mg/mL at 37 °C logp 1.96 HANSCH,C ET AL. (1995) logp 1.63 ALOGPS logs -1.88 ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 4.37 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-methoxybenzoic acid ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles COC1=CC=C(C=C1)C(O)=O ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) ChemAxon inchikey ZEYHEAKUIGZSGI-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 39.78 ChemAxon polarizability 14.99 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1584 Specdb::MsIr 1071 Specdb::MsIr 1072 Specdb::MsIr 1073 Specdb::CMs 2671 Specdb::CMs 29593 Specdb::CMs 29833 Specdb::CMs 32307 Specdb::CMs 37926 Specdb::CMs 99649 Specdb::CMs 99650 Specdb::CMs 99651 Specdb::CMs 158968 Specdb::MsMs 1421 Specdb::MsMs 1422 Specdb::MsMs 1423 Specdb::MsMs 5041 Specdb::MsMs 5042 Specdb::MsMs 5043 Specdb::MsMs 5044 Specdb::MsMs 5045 Specdb::MsMs 5046 Specdb::MsMs 178647 Specdb::MsMs 178648 Specdb::MsMs 178649 Specdb::MsMs 180966 Specdb::MsMs 180967 Specdb::MsMs 180968 Specdb::MsMs 437279 Specdb::MsMs 437280 Specdb::MsMs 437281 Specdb::MsMs 437282 Specdb::MsMs 437283 Specdb::MsMs 2238352 Specdb::MsMs 2239211 Specdb::MsMs 2763325 Specdb::MsMs 2763326 Specdb::MsMs 2763327 Specdb::NmrOneD 1643 Specdb::NmrOneD 8602 Specdb::NmrOneD 8603 Specdb::NmrOneD 8604 Specdb::NmrOneD 8605 Specdb::NmrOneD 8606 Specdb::NmrOneD 8607 Specdb::NmrOneD 8608 Specdb::NmrOneD 8609 Specdb::NmrOneD 8610 Specdb::NmrOneD 8611 Specdb::NmrOneD 8612 Specdb::NmrOneD 8613 Specdb::NmrOneD 8614 Specdb::NmrOneD 8615 Specdb::NmrOneD 8616 Specdb::NmrOneD 8617 Specdb::NmrOneD 8618 Specdb::NmrOneD 8619 Specdb::NmrOneD 8620 Specdb::NmrOneD 8621 C02519 10181338 FDB010587 7478 40813 DB02795 425 C00029536 CPD-1076 P-Anisic_acid