69013381 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 8 8 8 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 2 2 3 4 4 4 5 6 6 7 7 8 8 9 9 10 11 12 12 13 13 13 14 14 5 11 7 24 11 5 6 7 8 9 17 15 16 10 18 10 19 20 12 13 14 21 22 23 25 26 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 5.135 2.5369 6.8671 4.269 5.135 4.269 3.403 6.001 5.135 6.001 6.001 6.001 6.8671 5.135 3.8015 3.0044 3.732 6.538 5.135 6.538 7.1771 7.404 6.5571 2 5.135 4.5981 0.5 -1 0.5 -1 -0.5 -2 -0.5 -1 -2.5 -2 1 2 2.5 2.5 -0.0251 -0.0251 -2.31 -0.69 -3.12 -2.31 1.9631 2.81 3.0369 -0.69 3.12 2.19 8 8 8 8 8 8 4 4 5 6 8 9 5 6 8 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 223 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802320E80000600880220D208000208002020000888010608C80C372284311A827A20A5C01108B88780C0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] 2-methylprop-2-enoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-2-propenoic acid [2-(hydroxymethyl)phenyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] 2-methylprop-2-enoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] 2-methylprop-2-enoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] 2-methylprop-2-enoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methylacrylic acid (2-methylolphenyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12O3/c1-8(2)11(13)14-10-6-4-3-5-9(10)7-12/h3-6,12H,1,7H2,2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HQUAMIIKYBNDOX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.078644241 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C)C(=O)OC1=CC=CC=C1CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C)C(=O)OC1=CC=CC=C1CO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.078644241 14 0 0 0 0 0 0 0 1 -1