70630243 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 15 8 8 8 8 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 2 3 4 6 6 6 7 7 8 8 9 9 10 10 11 11 12 13 14 14 14 15 15 15 2 3 4 5 11 27 28 7 9 10 8 16 14 15 12 17 13 18 12 13 19 20 21 22 23 24 25 26 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 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 21 22 23 24 25 26 27 28 4.5981 3.732 5.4641 4.0981 5.0981 3.732 3.732 2.866 2.866 4.5981 3.732 2.866 4.5981 2.866 2 4.269 2.3291 5.135 2.3291 5.135 2.246 2.866 3.486 2.31 1.4631 1.69 5.4641 3.4781 2.44 1.94 2.94 3.306 1.574 -1.06 -2.06 -2.56 -0.56 -0.56 0.94 0.44 0.44 -3.56 -2.06 -2.37 -0.87 -0.87 0.75 0.75 -3.56 -4.18 -3.56 -1.5231 -1.75 -2.5969 3.56 3.306 8 8 8 8 8 8 6 6 9 10 11 11 9 10 12 13 12 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 269 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703802000000000000000000000000000000000000300000000000000000010000001A00000820000C0480980032068000011080422042008002000020200008880006088808262280111280300024C01108880780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2-methylprop-1-enyl)phenyl] dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H13O4P/c1-8(2)7-9-3-5-10(6-4-9)14-15(11,12)13/h3-7H,1-2H3,(H2,11,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZVVHKDFJIBDIKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.05514589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H13O4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=CC1=CC=C(C=C1)OP(=O)(O)O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=CC1=CC=C(C=C1)OP(=O)(O)O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.05514589 15 0 0 0 0 0 0 0 1 -1