60161010 1 2 3 4 5 6 7 8 9 67 8 8 6 6 1 1 1 1 1 2 2 3 4 4 4 4 2 5 9 5 5 6 7 8 6 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 4.5981 3.732 2.866 2 2.866 2.31 1.4631 1.69 3.732 -0.06 0.44 -1.06 0.44 -0.06 0.9769 0.75 -0.0969 1.06 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 0000037180403000000000000000000000040000000000000000000000000000000000000000001A000008000000008080000208000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;holmium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;holmium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;holmium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;holmium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethanoic acid;holmium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;holmium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O2.Ho/c1-2(3)4;/h1H3,(H,3,4); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QMLCWJXHEAJHMT-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.951458 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4HoO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.98 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.[Ho] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.[Ho] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.951458 5 0 0 0 0 0 0 0 2 -1