14778 1 2 20 8 1 2 2 1 5 255 1 2 2 3 0 0 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 00000371000020000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxocalcium IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxocalcium IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxocalcium IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 oxidanylidenecalcium IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 ketocalcium InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/Ca.O InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ODINCKMPIJJUCX-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 55.957506 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CaO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 56.0774 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 O=[Ca] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 O=[Ca] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 17.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 55.957506 2 0 0 0 0 0 0 0 1 1