| CID | 32 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 282 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 3 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACAgAAACAAAAgCIAiDSCAAAAAAAAAAICAEAAEAIBAQIAQAAUAABIAAAkYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | buta-1,3-diene-1,1,4-tricarboxylic acid |
| pubchem_iupac_cas_name | buta-1,3-diene-1,1,4-tricarboxylic acid |
| pubchem_iupac_systematic_name | buta-1,3-diene-1,1,4-tricarboxylic acid |
| pubchem_iupac_traditional_name | buta-1,3-diene-1,1,4-tricarboxylic acid |
| pubchem_nist_inchi | InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 186.016438 |
| pubchem_molecular_formula | C7H6O6 |
| pubchem_molecular_weight | 186.11894 |
| pubchem_openeye_can_smiles | C(=CC(=O)O)C=C(C(=O)O)C(=O)O |
| pubchem_openeye_iso_smiles | C(=CC(=O)O)C=C(C(=O)O)C(=O)O |
| pubchem_cactvs_tpsa | 112 |
| pubchem_monoisotopic_weight | 186.016438 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 13 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 1 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 9 12 1 |
