8434 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 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 5 6 6 8 8 8 9 9 10 10 12 12 12 7 8 11 22 7 5 6 7 9 13 10 14 12 15 16 11 17 11 18 19 20 21 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 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 3.732 2.866 2 2.866 2 3.732 2.866 3.732 2 3.732 2.866 4.5981 1.4631 4.269 3.52 3.1215 1.4631 4.269 4.9081 5.135 4.2881 2.3291 1.655 -2.845 1.655 0.155 -0.345 -0.345 1.155 2.655 -1.345 -1.345 -1.845 3.155 -0.035 -0.035 3.2376 2.5473 -1.655 -1.655 2.6181 3.465 3.6919 -3.155 8 8 8 8 8 8 4 4 5 6 9 10 5 6 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 148 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802320E80000600880220D208000200002420000888010608C808263282351A82710024C01108B98788EC2CCE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-hydroxybenzoate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxybenzoic acid ethyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-hydroxybenzoate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-oxidanylbenzoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 ethylparaben InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 NUVBSKCKDOMJSU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.062994 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H10O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.1739 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)C1=CC=C(C=C1)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)C1=CC=C(C=C1)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 46.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.062994 12 0 0 0 0 0 0 0 1 4