69597 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 15 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 2 5 6 3 4 7 10 8 11 12 13 14 15 16 17 9 18 9 19 20 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2.866 2.866 2 3.732 3.732 2 2 3.732 2.866 1.4631 4.269 4.042 4.269 3.422 2.31 1.4631 1.69 1.4631 4.269 2.866 1.25 0.25 -0.25 -0.25 1.75 1.75 -1.25 -1.25 -1.75 0.06 0.06 1.2131 2.06 2.2869 2.2869 2.06 1.2131 -1.56 -1.56 -2.37 8 8 8 8 8 8 2 2 3 4 7 8 3 4 7 8 9 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 72.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C07000020000000000000000000000000000000000003000000000000000000100000018080000000008008010003200800000208000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl(phenyl)phosphane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl(phenyl)phosphine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl(phenyl)phosphane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl(phenyl)phosphane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl(phenyl)phosphine InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 HASCQPSFPAKVEK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 138.059837 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C8H11P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 138.146702 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CP(C)C1=CC=CC=C1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CP(C)C1=CC=CC=C1 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 138.059837 9 0 0 0 0 0 0 0 1 1