1.0 2016-10-03 18:23:28 UTC 2020-04-22 15:46:09 UTC BMDB0011718 BMDB11718 4-Hydroxybenzaldehyde 4-Formylphenol p-Formylphenol p-Hydroxybenzaldehyde 4-Hydroxy-benzaldehyde 4-Hydroxybenzenecarbonal P-Hydroxy-benzaldehyde p-Oxybenzaldehyde Parahydroxybenzaldehyde Usaf m-6 Para-hydroxybenzaldehyde 4-Hydroxybenzaldehyde C7H6O2 122.1213 122.036779436 4-hydroxybenzaldehyde P-hydroxybenzaldehyde 123-08-0 OC1=CC=C(C=O)C=C1 InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Hydroxybenzaldehydes 1-hydroxy-2-unsubstituted benzenoids Benzoyl derivatives Hydrocarbon derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoyl Hydrocarbon derivative Hydroxybenzaldehyde Monocyclic benzene moiety Organic oxide Phenol Aromatic homomonocyclic compounds a small molecule hydroxybenzaldehyde Solid melting_point 117 °C water_solubility 8.45 mg/mL at 25 °C logp 1.35 HANSCH,C ET AL. (1995) logp 1.27 ALOGPS logs -1.11 ALOGPS logp 1.38 ChemAxon pka_strongest_acidic 7.32 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-hydroxybenzaldehyde ChemAxon average_mass 122.1213 ChemAxon mono_mass 122.036779436 ChemAxon smiles OC1=CC=C(C=O)C=C1 ChemAxon formula C7H6O2 ChemAxon inchi InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H ChemAxon inchikey RGHHSNMVTDWUBI-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 34.62 ChemAxon polarizability 11.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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::EiMs 1822 Specdb::MsIr 2582 Specdb::MsIr 2583 Specdb::MsIr 2584 Specdb::MsMs 12647 Specdb::MsMs 12648 Specdb::MsMs 12649 Specdb::MsMs 19319 Specdb::MsMs 19320 Specdb::MsMs 19321 Specdb::MsMs 20771 Specdb::MsMs 20772 Specdb::MsMs 20773 Specdb::MsMs 22322 Specdb::MsMs 22323 Specdb::MsMs 22324 Specdb::MsMs 438618 Specdb::MsMs 440150 Specdb::MsMs 1470838 Specdb::MsMs 1470856 Specdb::MsMs 1476030 Specdb::MsMs 1476031 Specdb::MsMs 1476032 Specdb::MsMs 1476033 Specdb::MsMs 1476034 Specdb::MsMs 1476035 Specdb::MsMs 1476036 Specdb::MsMs 1476037 Specdb::MsMs 1476038 Specdb::NmrOneD 3819 Specdb::NmrOneD 4084 Specdb::NmrOneD 94112 Specdb::NmrOneD 94113 Specdb::NmrOneD 94114 Specdb::NmrOneD 94115 Specdb::NmrOneD 94116 Specdb::NmrOneD 94117 Specdb::NmrOneD 94118 Specdb::NmrOneD 94119 Specdb::NmrOneD 94120 Specdb::NmrOneD 94121 Specdb::NmrOneD 94122 Specdb::NmrOneD 94123 Specdb::NmrOneD 94124 Specdb::NmrOneD 94125 Specdb::NmrOneD 94126 Specdb::NmrOneD 94127 Specdb::NmrOneD 94128 Specdb::NmrOneD 94129 Specdb::NmrOneD 94130 Specdb::NmrOneD 94131 Specdb::CMs 5968 Specdb::CMs 27175 Specdb::CMs 29108 Specdb::CMs 29581 Specdb::CMs 30066 Specdb::CMs 30669 Specdb::CMs 31830 Specdb::CMs 32221 Specdb::CMs 32222 Specdb::CMs 39773 Specdb::CMs 99964 Specdb::CMs 99965 Specdb::CMs 99966 Specdb::CMs 99967 Specdb::CMs 99968 Specdb::CMs 99969 Specdb::CMs 99970 Specdb::CMs 99971 Specdb::CMs 148445 FDB010504 123 C00633 DB03560 C00002657 126 725 17597 HBA 4-HYDROXYBENZALDEHYDE 4-Hydroxybenzaldehyde