8470 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 6 6 6 5 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 4 7 5 7 6 7 8 9 10 11 12 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 4.5981 2.866 3.732 5.4641 2 2.866 3.732 5.1541 6.001 5.7741 1.69 1.4631 2.31 2.556 2.3291 3.176 1 1 -0.5 0.5 0.5 -1 0.5 -0.0369 0.19 1.0369 1.0369 0.19 -0.0369 -0.4631 -1.31 -1.5369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C24030000000000000000000000000000000000000000000000000000000000000000812000000000000000000020200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trimethyl borate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WRECIMRULFAWHA-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 104.0644743 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H9BO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 103.92 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B(OC)(OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B(OC)(OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 104.0644743 7 0 0 0 0 0 0 0 1 -1