8117 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 4 5 7 17 6 16 6 8 9 7 10 11 12 13 14 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 5.135 2.5369 7.7331 6.001 4.269 6.8671 3.403 6.3996 5.6025 4.6675 3.8705 6.4685 7.2656 3.0044 3.8015 8.27 2 -0.25 0.25 0.25 0.25 0.25 -0.25 -0.25 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 -0.06 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 26.1 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000006000000000000000000000000000000000000000110000000000200000000000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxyethoxy)ethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxyethoxy)ethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxyethoxy)ethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxyethyloxy)ethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxyethoxy)ethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MTHSVFCYNBDYFN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 106.062994 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H10O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 106.1204 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(COCCO)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(COCCO)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 49.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 106.062994 7 0 0 0 0 0 0 0 1 1