| Formula | C6H10O4 |
| MW | 146.14 |
| InChIKey | PKVVTUWHANFMQC-UHFFFAOYSA-N |
| pubchem_compound_cid | 38 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 159 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADgSggAICCAAAAgAIAICQCAIAAAAAAAAAAAFAAAAAEBQAAAAAQAAEIAAAAABCAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 4-hydroxy-3,3-dimethyl-2-oxo-butanoic acid |
| pubchem_iupac_cas_name | 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid |
| pubchem_iupac_systematic_name | 3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoic acid |
| pubchem_iupac_traditional_name | 4-hydroxy-2-keto-3,3-dimethyl-butyric acid |
| pubchem_iupac_inchi | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) |
| pubchem_iupac_inchikey | PKVVTUWHANFMQC-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | -0.1 |
| pubchem_exact_mass | 146.057909 |
| pubchem_molecular_formula | C6H10O4 |
| pubchem_molecular_weight | 146.1412 |
| pubchem_openeye_can_smiles | CC(C)(CO)C(=O)C(=O)O |
| pubchem_openeye_iso_smiles | CC(C)(CO)C(=O)C(=O)O |
| pubchem_cactvs_tpsa | 74.6 |
| pubchem_monoisotopic_weight | 146.057909 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| 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 | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_xlogp3 | 0 |
