16211978 1 2 3 4 5 6 7 26 26 26 8 8 8 8 1 1 2 2 3 4 5 4 6 7 1 2 1 2 2 1 5 255 1 2 3 4 5 6 7 2.5981 0.866 1.232 1.732 3.4641 0 2.232 0.5 0.5 2.5 0 0 0 2.5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 36.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000038000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 oxoiron;oxo(oxoferriooxy)iron IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 oxoiron;oxo(oxoferriooxy)iron IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 oxoiron;oxo(oxoferriooxy)iron IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 oxoiron;oxo(oxoferriooxy)iron IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 oxidanylideneiron;oxidanylidene(oxidanylideneferriooxy)iron IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ketoiron;keto(ketoferriooxy)iron InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/3Fe.4O InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SZVJSHCCFOBDDC-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 231.784465 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Fe3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 231.53 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 O=[Fe].O=[Fe]O[Fe]=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 O=[Fe].O=[Fe]O[Fe]=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 231.784465 7 0 0 0 0 0 0 0 2 -1