3776 1 2 3 4 5 6 7 8 9 10 11 12 8 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 12 3 4 5 6 7 8 9 10 11 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 3.732 2.866 2 2.866 2.866 2.31 1.4631 1.69 2.246 2.866 3.486 4.269 0.75 0.25 0.75 -0.75 0.87 1.2869 1.06 0.2131 -0.75 -1.37 -0.75 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 10.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0402000000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-propanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 propan-2-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KFZMGEQAYNKOFK-UHFFFAOYSA-N Log P XLogP3-AA 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 60.057515 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H8O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.09502 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 60.057515 4 0 0 0 0 0 0 0 1 1