191992 1 2 3 4 5 8 8 6 1 1 3 1 1 1 2 2 3 4 3 5 1 1 1 1 1 5 255 1 2 3 4 5 4.269 2.5369 3.403 4.8059 2 0.25 0.25 -0.25 -0.06 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000030000000000000000000000000000000000000000000000000000000000000000002000008000000000000000008000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH2O2/c2-1-3/h2-3H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VZOMUUKAVRPMBY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.005479302 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.025 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [C](O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [C](O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.005479302 3 0 0 0 0 0 0 0 1 1