1.0 2026-09-22 04:01:19 UTC 2026-09-22 04:01:19 UTC FDB117666 Methylenediphosphonic acid phosphonomethylphosphonic acid CH6O6P2 176.0023 175.963960948 (phosphonomethyl)phosphonic acid methylene diphosphonate OP(O)(=O)CP(O)(O)=O InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) MBKDYNNUVRNNRF-UHFFFAOYSA-N belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms. Bisphosphonates Organic compounds Organic acids and derivatives Organic phosphonic acids and derivatives Bisphosphonates Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Organic phosphonic acids Organophosphorus compounds Organopnictogen compounds Aliphatic acyclic compound Bisphosphonate Hydrocarbon derivative Organic oxide Organic oxygen compound Organophosphonic acid Organophosphorus compound Organopnictogen compound 1,1-bis(phosphonic acid) logp -0.97 ALOGPS logs -1.04 ALOGPS solubility 1.60e+01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 1.27 ChemAxon iupac (phosphonomethyl)phosphonic acid ChemAxon average_mass 176.0023 ChemAxon mono_mass 175.963960948 ChemAxon smiles OP(O)(=O)CP(O)(O)=O ChemAxon formula CH6O6P2 ChemAxon inchi InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) ChemAxon inchikey MBKDYNNUVRNNRF-UHFFFAOYSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 27.88 ChemAxon polarizability 11.21 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 105285 Specdb::CMs 117346 Specdb::NmrOneD 234668 Specdb::NmrOneD 234669 Specdb::NmrOneD 234670 Specdb::NmrOneD 234671 Specdb::NmrOneD 234672 Specdb::NmrOneD 234673 Specdb::NmrOneD 234674 Specdb::NmrOneD 234675 Specdb::NmrOneD 234676 Specdb::NmrOneD 234677 Specdb::NmrOneD 234678 Specdb::NmrOneD 234679 Specdb::NmrOneD 234680 Specdb::NmrOneD 234681 Specdb::NmrOneD 234682 Specdb::NmrOneD 234683 Specdb::NmrOneD 234684 Specdb::NmrOneD 234685 Specdb::NmrOneD 234686 Specdb::NmrOneD 234687 Specdb::MsMs 58539 Specdb::MsMs 58540 Specdb::MsMs 58541 Specdb::MsMs 114480 Specdb::MsMs 114481 Specdb::MsMs 114482 Specdb::MsMs 3444427 Specdb::MsMs 3444428 Specdb::MsMs 3444429 Specdb::MsMs 3444430 Specdb::MsMs 3444431 Specdb::MsMs 3444432