| CID | 78 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 75 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADcYBCMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgIQCAAACCvBgEQACABAAgAIAACQCAAAAAAAAAAAAIGAAgACAAAAAAAAQAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-amino-3-chloro-propanoic acid |
| pubchem_iupac_cas_name | 2-amino-3-chloropropanoic acid |
| pubchem_iupac_systematic_name | 2-azanyl-3-chloro-propanoic acid |
| pubchem_iupac_traditional_name | 2-amino-3-chloro-propionic acid |
| pubchem_nist_inchi | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 123.008706 |
| pubchem_molecular_formula | C3H6ClNO2 |
| pubchem_molecular_weight | 123.53824 |
| pubchem_openeye_can_smiles | C(C(C(=O)O)N)Cl |
| pubchem_openeye_iso_smiles | C(C(C(=O)O)N)Cl |
| pubchem_cactvs_tpsa | 63.3 |
| pubchem_monoisotopic_weight | 123.008706 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 7 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| 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 8 3 |
