784 1 2 3 4 8 8 1 1 1 1 2 2 3 4 1 1 1 1 5 255 1 2 3 4 2.5369 3.403 2 3.9399 -0.25 0.25 0.06 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 0 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 2 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 0000037100003000000000000000000000000000000000000000000000000000000000000000000000000C000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen peroxide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen peroxide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen peroxide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen peroxide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 hydrogen peroxide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/H2O2/c1-2/h1-2H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MHAJPDPJQMAIIY-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 34.005479 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 H2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 34.01468 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 OO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 OO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 34.005479 2 0 0 0 0 0 0 0 1 1