| CID | 87 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 69 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCggAICCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAEAQAAAAAQAABIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-hydroxy-2-methyl-propanoic acid |
| pubchem_iupac_cas_name | 3-hydroxy-2-methylpropanoic acid |
| pubchem_iupac_systematic_name | 3-hydroxy-2-methyl-propanoic acid |
| pubchem_iupac_traditional_name | 3-hydroxy-2-methyl-propionic acid |
| pubchem_nist_inchi | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 104.047344 |
| pubchem_molecular_formula | C4H8O3 |
| pubchem_molecular_weight | 104.10452 |
| pubchem_openeye_can_smiles | CC(CO)C(=O)O |
| pubchem_openeye_iso_smiles | CC(CO)C(=O)O |
| pubchem_cactvs_tpsa | 57.5 |
| pubchem_monoisotopic_weight | 104.047344 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 7 |
| 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 | 4 6 3 |
