9561289 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 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 5 6 6 6 6 7 8 9 9 10 10 11 7 11 12 18 12 5 19 8 7 8 13 14 9 12 10 15 11 16 17 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 5 -1 4 8 12 6 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 2.809 5.936 6.4712 3.0828 4.0339 4.5691 3.618 4.777 3.309 2.309 2 5.7281 5.1887 4.6554 3.6734 1.9446 1.4103 6.5256 2.6221 0.3196 -1.6669 -0.0196 -0.7398 -1.0489 0.5984 0.9074 -0.3797 1.8585 1.8585 0.9074 -0.6888 0.6201 1.2124 2.3601 2.3601 0.7158 -1.8585 -1.1547 8 8 8 8 8 1 1 7 9 10 7 11 9 10 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 202 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180623800000000000000000000000000000120000000000000000000000000018000001E0004080000080CA19002300C80100640A801A8F288040208002420000888013608C80C263284351A825920A4C01108A987CBC8208000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3-(2-furyl)-2-hydroxyimino-propanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3-(2-furanyl)-2-hydroxyiminopropanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3-(furan-2-yl)-2-hydroxyiminopropanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3-(furan-2-yl)-2-hydroxyimino-propanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3-(2-furyl)-2-hydroximino-propionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H7NO4/c9-7(10)6(8-11)4-5-2-1-3-12-5/h1-3,11H,4H2,(H,9,10)/b8-6+ InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QJMVEKSNYKBZOC-SOFGYWHQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 169.037508 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H7NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 169.13478 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)CC(=NO)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)C/C(=N\O)/C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 83 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 169.037508 12 0 0 0 1 1 0 0 1 4