| CID | 8 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 134 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAACIAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,3-dihydroxy-3-methyl-pentanoic acid |
| pubchem_iupac_cas_name | 2,3-dihydroxy-3-methylpentanoic acid |
| pubchem_iupac_systematic_name | 2,3-dihydroxy-3-methyl-pentanoic acid |
| pubchem_iupac_traditional_name | 2,3-dihydroxy-3-methyl-valeric acid |
| pubchem_nist_inchi | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 148.073559 |
| pubchem_molecular_formula | C6H12O4 |
| pubchem_molecular_weight | 148.15708 |
| pubchem_openeye_can_smiles | CCC(C)(C(C(=O)O)O)O |
| pubchem_openeye_iso_smiles | CCC(C)(C(C(=O)O)O)O |
| pubchem_cactvs_tpsa | 77.8 |
| pubchem_monoisotopic_weight | 148.073559 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| 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 | 5 1 3
7 2 3 |
