| CID | 59 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 182 |
| pubchem_cactvs_hbond_acceptor | 7 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADcYBAOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAAAxAIQACQCIIAAAAAAAAAAAFAAAABEAQAAAAAQAABIAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-hydroxy-2-phosphonooxy-propanoic acid |
| pubchem_iupac_cas_name | 3-hydroxy-2-phosphonooxypropanoic acid |
| pubchem_iupac_systematic_name | 3-hydroxy-2-phosphonooxy-propanoic acid |
| pubchem_iupac_traditional_name | 3-hydroxy-2-phosphonooxy-propionic acid |
| pubchem_nist_inchi | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 185.992939 |
| pubchem_molecular_formula | C3H7O7P |
| pubchem_molecular_weight | 186.057241 |
| pubchem_openeye_can_smiles | C(C(C(=O)O)OP(=O)(O)O)O |
| pubchem_openeye_iso_smiles | C(C(C(=O)O)OP(=O)(O)O)O |
| pubchem_cactvs_tpsa | 124 |
| pubchem_monoisotopic_weight | 185.992939 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 9 12 3 |
