70628381 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 15 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 6 6 7 7 8 9 10 10 10 11 11 11 12 12 12 2 3 11 5 12 6 7 10 8 9 8 13 9 14 15 16 17 18 19 20 21 22 23 24 25 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 11 -1 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 3.732 2.866 3.732 2.866 2.866 3.732 2 3.732 2 2.866 4.5981 4.5981 4.269 1.4631 4.269 1.4631 2.246 2.866 3.486 4.2881 5.135 4.9081 4.9081 5.135 4.2881 1.5 1 2.5 -2 0 -1.5 -1.5 -0.5 -0.5 -3 1 3 -1.81 -1.81 -0.19 -0.19 -3 -3.62 -3 0.4631 0.69 1.5369 2.4631 3.31 3.5369 3 8 8 8 8 8 8 1 4 4 5 5 6 7 11 6 7 8 9 8 9 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 122 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0703002000000000000000000000000000000000000300000000000000000010000001A08000020000C0480980232068000011080022042000002000020200008880006088808262280111280300024C01108880780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methoxy-methyl-(4-methylphenoxy)phosphine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C9H13O2P/c1-8-4-6-9(7-5-8)11-12(3)10-2/h4-7H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GQJYYTXIJBKVMT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.06531665 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C9H13O2P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)OP(C)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)OP(C)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 18.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.06531665 12 1 0 1 0 0 0 0 1 -1