264 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 14 6 4 5 7 8 6 9 10 11 12 13 1 1 2 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 2.5369 3.403 5.135 4.269 6.001 3.403 4.7365 5.5335 4.6675 3.8705 6.311 6.538 5.691 2 0.75 -0.75 0.25 0.75 0.75 0.25 -0.2249 -0.2249 1.225 1.225 0.2131 1.06 1.2869 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 49.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0603000000000000000000000000000000000000000000000000000000000000000001A000008000008008080000208000002000800009008000000000000000000010000000000100000000040000400000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 butyric acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 butanoic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 butanoic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 butanoic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 butyric acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 FERIUCNNQQJTOY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 88.052429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C4H8O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 88.10512 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCCC(=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 88.052429 6 0 0 0 0 0 0 0 1 1