753 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 4 12 5 13 6 14 5 6 7 8 9 10 11 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 4.269 6.001 2.5369 4.269 5.135 3.403 4.8059 5.5335 4.7365 3.8015 3.0044 3.732 6.538 2 -0.595 0.405 0.405 0.405 0.905 0.905 0.095 1.38 1.38 1.38 1.38 -0.905 0.715 0.715 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 25.2 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0403000000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020000000002000000000000000000000000000000000000000110000000000040000100000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 glycerol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,2,3-triol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,2,3-triol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propane-1,2,3-triol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 glycerol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PEDCQBHIVMGVHV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 92.047344 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H8O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 92.09382 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(CO)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(CO)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 60.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 92.047344 6 0 0 0 0 0 0 0 1 1