| Formula | C8H14O3 |
| MW | 158.2 |
| InChIKey | JMYWLBRCOSLRIH-UHFFFAOYSA-N |
| pubchem_compound_cid | 24987 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 144 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 5 |
| pubchem_cactvs_subskeys | AAADccBwMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAACQCAIAAAAAAAAAAAFAAAABABQAAAQCAAAFIAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | butyl 3-methyloxirane-2-carboxylate |
| pubchem_iupac_cas_name | 3-methyl-2-oxiranecarboxylic acid butyl ester |
| pubchem_iupac_systematic_name | butyl 3-methyloxirane-2-carboxylate |
| pubchem_iupac_traditional_name | 3-methyloxirane-2-carboxylic acid butyl ester |
| pubchem_iupac_inchi | InChI=1S/C8H14O3/c1-3-4-5-10-8(9)7-6(2)11-7/h6-7H,3-5H2,1-2H3 |
| pubchem_iupac_inchikey | JMYWLBRCOSLRIH-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 1.5 |
| pubchem_exact_mass | 158.094294 |
| pubchem_molecular_formula | C8H14O3 |
| pubchem_molecular_weight | 158.19496 |
| pubchem_openeye_can_smiles | CCCCOC(=O)C1C(O1)C |
| pubchem_openeye_iso_smiles | CCCCOC(=O)C1C(O1)C |
| pubchem_cactvs_tpsa | 38.8 |
| pubchem_monoisotopic_weight | 158.094294 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| 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_coordinate_type | 1 |
| pubchem_bondannotations | 4 6 3
5 7 3 |
| pubchem_xlogp3 | 0 |
