123279 1 2 3 4 5 6 5 5 5 5 1 1 1 1 2 2 3 4 2 3 4 5 3 5 4 5 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 2.5318 2.0939 2 3.001 2.829 0.7351 -0.7351 -0.1877 -0.1877 -0.7351 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371038000000000000000000000000012244890000000000000000000000000000000006000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.0<SUP>1,3</SUP>.0<SUP>2,5</SUP>]pentane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CB4/c2-1-3(2)5(1)4(1)2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 INAHAJYZKVIDIZ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.0372207 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CB4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 55.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B12B3C14B2B43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B12B3C14B2B43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.0372207 5 0 0 0 0 0 0 0 1 -1