CID | 4 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 23 |
pubchem_cactvs_hbond_acceptor | 2 |
pubchem_cactvs_hbond_donor | 2 |
pubchem_cactvs_rotatable_bond | 1 |
pubchem_cactvs_subskeys | AAADccBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACBThgAYCAABAAgAAAAAAAAAAAAAAAAAAAIAAAAACEAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | 1-aminopropan-2-ol |
pubchem_iupac_cas_name | 1-amino-2-propanol |
pubchem_iupac_systematic_name | 1-azanylpropan-2-ol |
pubchem_iupac_traditional_name | 1-aminopropan-2-ol |
pubchem_nist_inchi | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 |
pubchem_cactvs_xlogp | 0 |
pubchem_exact_mass | 75.068414 |
pubchem_molecular_formula | C3H9NO |
pubchem_molecular_weight | 75.10966 |
pubchem_openeye_can_smiles | CC(CN)O |
pubchem_openeye_iso_smiles | CC(CN)O |
pubchem_cactvs_tpsa | 46.2 |
pubchem_monoisotopic_weight | 75.068414 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 5 |
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 | 3 6 3 |