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Showing structure for CHEM044612: [methoxy(dimethyl)silyl]methyl acetate
53933647 -OEChem-10101915523D 24 23 0 0 0 0 0 0 0999 V2000 1.5965 0.4077 -0.0765 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 -1.1245 -0.6312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 0.0079 -0.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 0.3297 1.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 0.4432 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 0.9712 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 1.6501 -1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -2.2217 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4618 0.0033 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 -0.4669 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.4707 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 -0.2081 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 1.6873 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 2.6513 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 1.3698 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 1.9876 1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 0.9636 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 0.3111 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -3.1198 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 -2.3865 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 -2.0790 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 0.2145 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 -0.4760 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0982 -1.4826 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 53933647 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 29 14 42 7 41 31 21 32 35 33 24 6 15 10 23 30 16 5 2 8 20 36 25 37 28 3 38 4 12 44 40 22 26 39 13 11 43 19 9 27 18 34 17 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 10 1 0.54 10 0.06 2 -0.58 3 -0.43 4 -0.57 5 0.2 6 -0.08 7 -0.08 8 0.28 9 0.66 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 4 > <PUBCHEM_PHARMACOPHORE_FEATURES> 1 1 4 acceptor > <PUBCHEM_HEAVY_ATOM_COUNT> 10 > <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> 0336F64F00000001 > <PUBCHEM_MMFF94_ENERGY> 7.9902 > <PUBCHEM_FEATURE_SELFOVERLAP> 5.074 > <PUBCHEM_SHAPE_FINGERPRINT> 10219947 1 18260537957584195728 12932741 1 17022627485336232613 12932764 1 17988655085754085177 15775835 57 17989211455558970729 170605 34 16916500488403760088 20201158 50 18113898255902504122 20645477 70 18201992201778966263 20711985 344 17318158429596730588 21524375 3 16739483643153813268 21730867 7 18272644662663253592 23235687 12 17822571719494690661 23552423 10 18410018714810597159 3248919 1 18260551151528459377 3250762 1 17758936157620539740 8030462 33 18201446895334652221 > <PUBCHEM_SHAPE_MULTIPOLES> 206.4 5.24 1.67 1.32 4.78 0.83 0.06 0.15 0.21 -1.75 -0.41 -0.18 -0.42 -0.17 > <PUBCHEM_SHAPE_SELFOVERLAP> 361.652 > <PUBCHEM_SHAPE_VOLUME> 136.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM044612: [methoxy(dimethyl)silyl]methyl acetate