| CID | 98 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 98 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADcYBAMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACASEwACACAAAAgQIAICQCAIAAAAAAAAAAAFAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-oxo-3-sulfanyl-propanoic acid |
| pubchem_iupac_cas_name | 3-mercapto-2-oxopropanoic acid |
| pubchem_iupac_systematic_name | 2-oxo-3-sulfanyl-propanoic acid |
| pubchem_iupac_traditional_name | 2-keto-3-mercapto-propionic acid |
| pubchem_nist_inchi | InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 119.988115 |
| pubchem_molecular_formula | C3H4O3S |
| pubchem_molecular_weight | 120.12706 |
| pubchem_openeye_can_smiles | C(C(=O)C(=O)O)S |
| pubchem_openeye_iso_smiles | C(C(=O)C(=O)O)S |
| pubchem_cactvs_tpsa | 54.4 |
| pubchem_monoisotopic_weight | 119.988115 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 7 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| 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 | 5 |
