86 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 8 8 9 9 10 7 17 11 18 11 5 15 16 6 7 8 11 9 10 12 10 13 14 1 1 1 1 2 1 1 1 2 1 1 1 2 2 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 6.8671 2.5369 3.403 5.135 5.135 4.269 6.001 4.269 6.001 5.135 3.403 3.732 6.538 5.135 5.672 4.5981 7.404 2 0.345 -0.155 1.345 1.345 0.345 -0.155 -0.155 -1.155 -1.155 -1.655 0.345 -1.465 -1.465 -2.275 1.655 1.655 0.035 0.155 8 8 8 8 8 8 5 5 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 160 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 0000037180623000000000000000000000000000000000000000300000000000000000010000001E00100800000C0C81980030CE80400200880224D24800820000242000088801074CC80A263A92959380718066C01108D9C7DAC8308E00000100000210000000020000042000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-benzoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxybenzoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxybenzoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-3-oxidanyl-benzoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-benzoic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WJXSWCUQABXPFS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.042593 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H7NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.13538 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(C(=C1)O)N)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(C(=C1)O)N)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 83.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.042593 11 0 0 0 0 0 0 0 1 10