14941 1 2 3 4 5 6 7 20 20 14 8 8 8 8 1 2 2 2 4 -1 5 -1 6 -1 7 -1 3 3 3 3 4 5 6 7 1 1 1 1 1 5 255 1 2 3 4 5 6 7 2.7071 2.7071 2.7071 3.4142 2 2 3.4142 1.4142 -1.4142 0 0.7071 0.7071 -0.7071 -0.7071 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 19.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038080000080000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;silicate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;silicate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;silicate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;silicate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;silicate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicalcium;orthosilicate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JHLNERQLKQQLRZ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 171.8817667 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Ca2O4Si Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 172.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 171.8817667 7 0 0 0 0 0 0 0 3 1