59959488 1 2 3 4 5 6 7 8 9 10 8 6 6 6 1 1 1 1 1 1 4 3 1 1 2 2 2 3 3 3 4 2 9 3 4 5 6 7 8 10 1 1 1 1 1 1 1 1 1 2 1 3 4 5 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 3.732 2.866 2 2.866 2.866 2.31 1.4631 1.69 4.269 2.866 0.75 0.25 0.75 -0.75 0.87 1.2869 1.06 0.2131 0.44 -1.37 3 2 1 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 12.8 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 0000037180402000000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H6O/c1-3(2)4/h1,3-4H,2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MZRUUBRVYTWENK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 58.041864811 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 58.08 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC([CH])O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC([CH])O 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 58.041864811 4 1 0 1 0 0 0 0 1 -1