1.0 2016-09-30 23:07:33 UTC 2020-04-22 15:13:12 UTC BMDB0004062 BMDB04062 Gentisate aldehyde Gentisaldehyde 2,5-Dihydroxybenzaldehyde Gentisic acid aldehyde 2,5-Dihydroxybenzaldehyde polymer Gentisate aldehyde C7H6O3 138.1207 138.031694058 2,5-dihydroxybenzaldehyde 2,5-dihydroxybenzaldehyde 1194-98-5 OC1=CC(C=O)=C(O)C=C1 InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H CLFRCXCBWIQVRN-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 Hydroquinones Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoyl Hydrocarbon derivative Hydroquinone Hydroxybenzaldehyde Monocyclic benzene moiety Organic oxide Phenol Vinylogous acid Aromatic homomonocyclic compounds dihydroxybenzaldehyde Solid logp 0.54 JIN,LJ ET AL. (1998) logp 1.02 ALOGPS logs -0.97 ALOGPS logp 1.73 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 2,5-dihydroxybenzaldehyde ChemAxon average_mass 138.1207 ChemAxon mono_mass 138.031694058 ChemAxon smiles OC1=CC(C=O)=C(O)C=C1 ChemAxon formula C7H6O3 ChemAxon inchi InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H ChemAxon inchikey CLFRCXCBWIQVRN-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 36.6 ChemAxon polarizability 12.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsIr 2102 Specdb::MsIr 2103 Specdb::MsIr 2104 Specdb::CMs 1368 Specdb::CMs 14482 Specdb::CMs 31496 Specdb::CMs 32287 Specdb::CMs 38699 Specdb::CMs 149645 Specdb::NmrOneD 41442 Specdb::NmrOneD 41443 Specdb::NmrOneD 41444 Specdb::NmrOneD 41445 Specdb::NmrOneD 41446 Specdb::NmrOneD 41447 Specdb::NmrOneD 41448 Specdb::NmrOneD 41449 Specdb::NmrOneD 41450 Specdb::NmrOneD 41451 Specdb::NmrOneD 41452 Specdb::NmrOneD 41453 Specdb::NmrOneD 41454 Specdb::NmrOneD 41455 Specdb::NmrOneD 41456 Specdb::NmrOneD 41457 Specdb::NmrOneD 41458 Specdb::NmrOneD 41459 Specdb::NmrOneD 41460 Specdb::NmrOneD 41461 Specdb::MsMs 28952 Specdb::MsMs 28953 Specdb::MsMs 28954 Specdb::MsMs 35510 Specdb::MsMs 35511 Specdb::MsMs 35512 Specdb::MsMs 2248816 Specdb::MsMs 2807348 Specdb::MsMs 2807349 Specdb::MsMs 2807350 Specdb::MsMs 2898813 Specdb::MsMs 2898814 Specdb::MsMs 2898815 FDB023295 70949 64111 C05585 28508 CPD-16722 Zeng, Hanwei; Zhang, Ting; Liu, Lin; Lai, Weiming. Synthesis of hydroxybenzaldehydes by Reimer-Tiemann reaction with phase transfer catalyst. Huanan Ligong Daxue Xuebao, Ziran Kexueban (1997), 25(12), 70-74.