135 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 7 8 9 7 15 10 16 10 5 6 10 8 11 9 12 8 9 13 14 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.866 3.732 2 2.866 2 3.732 2.866 2 3.732 2.866 1.4631 4.269 1.4631 4.269 2.3291 3.732 -2.405 2.095 2.095 0.595 0.095 0.095 -1.405 -0.905 -0.905 1.595 0.405 0.405 -1.215 -1.215 -2.715 2.715 8 8 8 8 8 8 4 4 5 6 7 7 5 6 8 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 125 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603000000000000000000000000000000000000000300000000000000000010000001A00000800000C04809800300E80000200880220D208000200002420000888010608C808263282151280710024C01108998788EC24CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxybenzoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxybenzoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxybenzoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-oxidanylbenzoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxybenzoic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FJKROLUGYXJWQN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 138.031694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H6O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 138.12074 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C(=O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 57.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 138.031694 10 0 0 0 0 0 0 0 1 4