756 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 1 1 2 3 3 3 4 3 8 4 4 5 6 7 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 4.5981 2 3.732 2.866 4.1306 3.3335 2.866 5.135 0.06 0.56 0.56 0.06 1.035 1.035 -0.56 0.37 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 18 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000800081080020000000000000000004000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyacetaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyacetaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyacetaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxidanylethanal IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-hydroxyacetaldehyde InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WGCNASOHLSPBMP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.021129 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H4O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.05196 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.021129 4 0 0 0 0 0 0 0 1 2