70577227 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 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 2 2 3 4 4 4 5 5 6 6 7 7 9 9 10 10 11 11 11 12 4 11 14 8 23 8 5 8 13 6 7 9 15 10 16 12 17 12 18 19 20 21 22 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 4 1 5 8 13 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 2.5369 4.269 5.135 3.403 3.403 2.5369 4.269 4.269 2.5369 4.269 2.5369 3.403 3.403 2 2 4.8059 2 4.8059 3.1569 2.5369 1.9169 3.403 4.8059 1.095 2.095 0.595 0.595 -0.405 -0.905 -0.905 1.095 -1.905 -1.905 2.095 -2.405 1.215 0.785 -0.595 -0.595 -2.215 -2.215 2.095 2.715 2.095 -3.025 2.405 3 8 8 8 8 8 8 4 5 5 6 7 9 10 8 6 7 9 10 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 153 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C0703002000000000000000000000000000000000000300000000000000000010000001A08000800100C00889800320880000220880220D2080002000020000008880100008808203280151080600024C00108880788C8A08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphanyl-2-phenyl-acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphino-2-phenylacetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphanyl-2-phenylacetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphanyl-2-phenylacetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphanyl-2-phenyl-ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylphosphino-2-phenyl-acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H11O2P/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8,12H,1H3,(H,10,11) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LADYHIFXJWHKHX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.04966659 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H11O2P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CPC(C1=CC=CC=C1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CPC(C1=CC=CC=C1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.04966659 12 1 0 1 0 0 0 0 1 -1