1110 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 5 6 6 6 7 13 8 14 7 8 6 7 9 10 8 11 12 1 1 1 1 2 2 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 6.8671 3.403 6.001 4.269 5.135 3.403 6.001 4.6675 3.8705 4.7365 5.5335 2 7.404 0.25 -0.25 -1.25 1.25 0.25 -0.25 -0.25 0.25 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 92.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603800000000000000000000000000000000000000000000000000000000000000001A000008000008008080000008000002000800009008000000000000000000010000000000100000000040000400000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 succinic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 butanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 butanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 butanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 succinic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KDYFGRWQOYBRFD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 118.026609 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H6O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 118.08804 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 74.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 118.026609 8 0 0 0 0 0 0 0 1 1