6395 1 2 3 4 5 6 7 8 9 16 8 8 8 6 1 1 1 1 1 1 1 1 2 5 5 5 2 3 4 5 9 6 7 8 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2.866 3.732 2.366 3.366 2 1.69 1.4631 2.31 4.269 0 0.5 0.866 -0.866 -0.5 0.0369 -0.81 -1.0369 0.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 92.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 00000371800030004000000000000000000000000000000000000000000000000000000000000010040008000000000000008200000000820000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 methanesulfonic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 methanesulfonic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 methanesulfonic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methanesulfonic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 mesylic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AFVFQIVMOAPDHO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 95.988115 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CH4O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.10566 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CS(=O)(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CS(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 62.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 95.988115 5 0 0 0 0 0 0 0 1 1