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Showing structure for FDB009445 (Formaldehyde)
712 -OEChem-09032120033D 4 3 0 0 0 0 0 0 0999 V2000 0.6123 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.2426 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.2424 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 712 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 4 1 -0.57 2 0.45 3 0.06 4 0.06 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 1 1 1 acceptor > <PUBCHEM_HEAVY_ATOM_COUNT> 2 > <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> 1 > <PUBCHEM_CONFORMER_ID> 000002C800000001 > <PUBCHEM_MMFF94_ENERGY> 0.0542 > <PUBCHEM_FEATURE_SELFOVERLAP> 5.074 > <PUBCHEM_SHAPE_FINGERPRINT> 21015797 1 18338519741256598869 260 1 18410856563976954887 > <PUBCHEM_SHAPE_MULTIPOLES> 35.29 0.93 0.56 0.56 0.04 0 0 0 0 0.04 0 0.04 0 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 50.426 > <PUBCHEM_SHAPE_VOLUME> 26.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for FDB009445 (Formaldehyde)