70632503 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 15 8 8 8 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 20 21 21 22 22 2 3 4 23 55 56 6 7 24 25 8 26 27 9 28 29 10 30 31 11 32 33 12 34 35 13 36 37 14 38 39 15 40 41 16 42 43 17 44 45 18 46 47 19 20 48 49 50 21 51 22 52 23 53 23 54 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 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 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 8.0622 7.1962 8.0622 8.9282 4.5981 4.5981 5.4641 3.732 5.4641 3.732 6.3301 2.866 6.3301 2.866 7.1962 2 7.1962 2 6.3301 8.0622 6.3301 8.0622 7.1962 4.386 3.9875 4.8101 5.2087 5.6762 6.0747 3.52 3.1215 5.252 4.8535 3.9441 4.3426 6.5422 6.9407 2.654 2.2554 6.1181 5.7196 3.0781 3.4766 7.4082 7.8067 1.788 1.3894 1.38 2 2.62 5.7932 8.5991 5.7932 8.5991 8.5991 9.4651 6.095 5.595 7.095 5.595 -1.905 -2.905 -1.405 -3.405 -0.405 -4.405 0.095 -4.905 1.095 -5.905 1.595 -6.405 2.595 -7.405 3.095 3.095 4.095 4.095 4.595 -1.3224 -2.0127 -3.4876 -2.7973 -1.9876 -1.2973 -2.8224 -3.5127 0.1776 -0.5127 -4.9876 -4.2973 -0.4876 0.2027 -4.3224 -5.0127 1.6776 0.9873 -6.4876 -5.7973 1.0124 1.7027 -5.8224 -6.5127 -7.405 -8.025 -7.405 2.785 2.785 4.405 4.405 7.405 5.905 8 8 8 8 8 8 17 17 19 20 21 22 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 253 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0783002000000000000000000000000000000000000300000000000000000010000001A00000820000C0480980032068000011080022042000002000020200008880006088808262280111280300024C01108880780C0E00E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-tridecylphenyl) dihydrogen phosphite InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)22-23(20)21/h14-17,20-21H,2-13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UKOAEJOBIYHGFW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.21673191 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H33O3P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC1=CC=C(C=C1)OP(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC1=CC=C(C=C1)OP(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.21673191 23 0 0 0 0 0 0 0 1 -1