| CID | 91 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 156 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwDoAAAgCIAiDSCAACAAAgIAAIiAEGCIgIJjKCERKAcAAkwBEImAeIyLCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3-(3-hydroxyphenyl)propanoic acid |
| pubchem_iupac_cas_name | 3-(3-hydroxyphenyl)propanoic acid |
| pubchem_iupac_systematic_name | 3-(3-hydroxyphenyl)propanoic acid |
| pubchem_iupac_traditional_name | 3-(3-hydroxyphenyl)propionic acid |
| pubchem_nist_inchi | InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 166.062994 |
| pubchem_molecular_formula | C9H10O3 |
| pubchem_molecular_weight | 166.1739 |
| pubchem_openeye_can_smiles | C1=CC(=CC(=C1)O)CCC(=O)O |
| pubchem_openeye_iso_smiles | C1=CC(=CC(=C1)O)CCC(=O)O |
| pubchem_cactvs_tpsa | 57.5 |
| pubchem_monoisotopic_weight | 166.062994 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| 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 | 9 |
| pubchem_bondannotations | 10 11 8
5 7 8
5 8 8
7 9 8
8 10 8
9 11 8 |
