57873985 1 2 3 4 5 6 7 8 9 10 104 8 8 6 6 1 1 1 1 1 5 2 1 2 2 3 3 4 4 4 5 2 4 9 5 10 5 6 7 8 6 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 6.001 5.135 2.5369 4.269 3.403 3.8705 4.6675 3.403 5.135 2 -0.56 -0.06 -0.56 -0.56 -0.06 -1.035 -1.035 0.56 0.56 -0.25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 11.6 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H5O2.Rf/c3-1-2-4;/h1,3-4H,2H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NPMYSUKTILJRSY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.151 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H5O2Rf Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C([CH]O)O.[Rf] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([CH]O)O.[Rf] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.151 5 0 0 0 0 0 0 0 2 -1