24492 1 2 3 4 8 8 5 1 1 1 2 3 4 3 1 1 2 1 5 255 1 2 3 4 2.5369 4.269 3.403 2 -0.25 -0.25 0.25 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 10.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371020030000000000000000000000000000000000000000000000000000000000000000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxoborinic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxoborinic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxoborinic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 oxidanylideneborinic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 ketoborinic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/BHO2/c2-1-3/h2H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 VGTPKLINSHNZRD-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 44.00696 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 BHO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 43.81774 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 B(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 B(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 44.00696 3 0 0 0 0 0 0 0 1 1