| CID | 101 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 101 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwBoAAAgCIAihSgAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeKyBCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-hydroxybenzaldehyde |
| pubchem_iupac_cas_name | 3-hydroxybenzaldehyde |
| pubchem_iupac_systematic_name | 3-hydroxybenzaldehyde |
| pubchem_iupac_traditional_name | 3-hydroxybenzaldehyde |
| pubchem_nist_inchi | InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 122.036779 |
| pubchem_molecular_formula | C7H6O2 |
| pubchem_molecular_weight | 122.12134 |
| pubchem_openeye_can_smiles | C1=CC(=CC(=C1)O)C=O |
| pubchem_openeye_iso_smiles | C1=CC(=CC(=C1)O)C=O |
| pubchem_cactvs_tpsa | 37.3 |
| pubchem_monoisotopic_weight | 122.036779 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 9 |
| 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 | 3 |
| pubchem_bondannotations | 3 4 8
3 6 8
4 5 8
5 7 8
6 8 8
7 8 8 |
