69709048 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 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 2 2 3 4 4 4 5 6 6 7 7 8 8 9 9 10 11 12 12 13 13 5 11 6 20 11 5 6 7 8 14 15 9 16 10 17 10 18 19 12 13 21 22 23 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 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 5.135 2.5369 6.8671 4.269 5.135 3.403 4.269 6.001 5.135 6.001 6.001 6.001 6.8671 3.8015 3.0044 3.732 6.538 5.135 6.538 2 5.4641 7.404 6.8671 0.5 -1 0.5 -1 -0.5 -0.5 -2 -1 -2.5 -2 1 2 2.5 -0.0251 -0.0251 -2.31 -0.69 -3.12 -2.31 -0.69 2.31 2.19 3.12 8 8 8 8 8 8 4 4 5 7 8 9 5 7 8 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 189 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 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802300E80000600880220D208000208002020000888000608C80C372284311A827A20A5C01108B88780C0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] prop-2-enoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propenoic acid [2-(hydroxymethyl)phenyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] prop-2-enoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] prop-2-enoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(hydroxymethyl)phenyl] prop-2-enoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acrylic acid (2-methylolphenyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10O3/c1-2-10(12)13-9-6-4-3-5-8(9)7-11/h2-6,11H,1,7H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HNZYHOQNPHAJQZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.062994177 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC(=O)OC1=CC=CC=C1CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC(=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 2021.05.07 178.062994177 13 0 0 0 0 0 0 0 1 -1