1032 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 11 5 4 5 6 7 8 9 10 1 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 4.5981 3.732 2.866 2 3.732 3.2646 2.4675 1.69 1.4631 2.31 5.135 0.75 -0.75 0.75 0.25 0.25 1.225 1.225 0.7869 -0.06 -0.2869 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 40.2 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 0000037180403000000000000000000000000000000000000000000000000000000000000000001A000008000008008080000208000002000800009008000000000000000000010000000000000000000040000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propionic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 propanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 propionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XBDQKXXYIPTUBI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.036779 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.07854 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCC(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCC(=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 74.036779 5 0 0 0 0 0 0 0 1 1