26264 1 2 3 4 5 6 24 20 8 8 8 8 2 2 3 -1 4 -1 1 1 1 1 3 4 5 6 1 1 2 2 1 5 255 1 2 3 4 5 6 3 2 2 3 4 3 0 -1 0 -1 0 1 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000038000000088000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dioxido(dioxo)chromium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dioxido(dioxo)chromium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dioxido(dioxo)chromium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;bis(oxidanidyl)-bis(oxidanylidene)chromium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;diketo(dioxido)chromium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Ca.Cr.4O/q+2;;;;2*-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 RFAFBXGYHBOUMV-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 155.882757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CaCrO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 156.0717 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Cr](=O)(=O)[O-].[Ca+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Cr](=O)(=O)[O-].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 80.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 155.882757 6 0 0 0 0 0 0 0 2 1