58943019 1 2 3 4 5 6 7 8 9 10 11 12 13 14 41 8 6 6 6 3 1 1 1 1 1 1 1 1 6 2 1 1 2 2 3 3 3 4 4 4 5 5 5 2 6 3 14 4 5 7 8 9 10 11 12 13 6 6 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.5981 3.732 2.866 2 2.866 5.4641 2.866 2.31 1.4631 1.69 2.246 2.866 3.486 3.732 -0.06 0.44 -0.06 0.44 -1.06 0.44 0.56 0.9769 0.75 -0.0969 -1.06 -1.68 -1.06 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 18.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C8402000000000000080000000000000000000000000000000000000000000000000001A00000800000814A080020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H8O.Li.Nb/c1-3(2)4;;/h3-4H,1-2H3;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ALOMBGPNYSDJHJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 159.97989 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H8LiNbO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 160.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Li].CC(C)O.[Nb] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Li].CC(C)O.[Nb] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 159.97989 6 0 0 0 0 0 0 0 3 -1