70637110 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 8 8 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 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 9 9 9 10 10 11 11 12 12 13 13 14 8 25 8 4 5 6 8 5 7 15 16 17 9 18 19 10 11 20 21 22 12 23 13 24 14 26 14 27 28 1 1 2 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 3 4 6 5 8 2 1 4 3 7 5 15 2 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 2.866 4.5981 3.732 4.232 4.732 2.866 4.232 3.732 2 3.366 5.0981 3.366 5.0981 4.232 4.8309 5.3147 4.8397 2.4675 3.2646 2.31 1.4631 1.69 2.8291 5.635 2.866 2.8291 5.635 4.232 2.373 2.373 0.873 0.007 0.873 0.373 -0.993 1.873 0.873 -1.493 -1.493 -2.493 -2.493 -2.993 -0.1535 0.661 1.4836 -0.1019 -0.1019 1.41 1.183 0.3361 -1.183 -1.183 2.993 -2.803 -2.803 -3.613 5 6 8 8 8 8 8 8 3 4 7 7 10 11 12 13 6 7 10 11 12 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 231 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 00000371C0703000000000000000000000001800000000000000300000000000000000010000001A00000800000F00809800320880000200880220D2080002000020000008880100008808203280111080600024800008880788C8F08F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R)-1-ethyl-2-phenyl-cyclopropanecarboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R)-1-ethyl-2-phenyl-1-cyclopropanecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>R</I>,2<I>R</I>)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R)-1-ethyl-2-phenyl-cyclopropane-1-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R)-1-ethyl-2-phenyl-cyclopropanecarboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MHNILVJIEROMSM-ZYHUDNBSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.099379685 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H14O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1(CC1C2=CC=CC=C2)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC[C@]1(C[C@@H]1C2=CC=CC=C2)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 2021.05.07 190.099379685 14 2 2 0 0 0 0 0 1 -1