44223991 1 2 3 4 5 6 7 8 9 8 8 6 6 1 1 1 1 1 4 -1 1 1 2 2 3 3 3 4 3 8 4 9 4 5 6 7 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 5.135 2.5369 4.269 3.403 4.6675 3.8705 3.403 5.672 2 0.06 0.56 0.56 0.06 1.035 1.035 -0.56 0.37 0.25 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H5O2/c3-1-2-4/h1,3-4H,2H2/q-1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ARLPEFUKUGZJCT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 61.028954 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H5O2- Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 61.0599 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C([CH-]O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([CH-]O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 61.028954 4 0 0 0 0 0 0 0 1 1