8998 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 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 5 5 5 6 6 7 7 8 8 5 16 6 15 7 17 8 18 6 7 9 8 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 6 7 9 3 1 6 2 5 8 10 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.269 5.135 2.5369 6.8671 4.269 5.135 3.403 6.001 4.8059 5.672 3.8015 3.0044 5.6025 6.3996 5.672 3.732 2 7.404 -1.25 1.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 -0.56 0.56 0.7249 0.7249 -0.7249 -0.7249 1.56 -1.56 0.06 -0.06 3 3 5 6 1 2 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 48 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 4 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 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020000000002000000000000000000000000000000000000000110000000000040000500000100004000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 butane-1,2,3,4-tetrol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 butane-1,2,3,4-tetrol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 butane-1,2,3,4-tetrol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 butane-1,2,3,4-tetrol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 butane-1,2,3,4-tetrol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UNXHWFMMPAWVPI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.057909 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H10O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.1198 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(CO)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(CO)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 80.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.057909 8 2 0 2 0 0 0 0 1 1