10236 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 5 5 6 6 6 7 7 10 10 11 11 12 12 13 5 18 5 19 9 8 8 9 7 8 10 9 11 13 14 12 15 13 17 16 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 6.0709 6.0709 4.9889 4.9889 5.2619 3.732 3.732 4.6783 4.6783 2.866 2.866 2 2 2.866 2.866 1.4631 1.4631 6.6373 6.0061 -0.5878 0.5878 -1.7552 1.7552 0 0.5 -0.5 0.8047 -0.8047 1 -1 -0.5 0.5 1.62 -1.62 0.81 -0.81 -0.3356 1.2044 8 8 8 8 8 8 6 6 7 10 11 12 7 10 11 13 12 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 243 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 0000037180703800000000000000000000000000000180000000300000000000000060010000001A00000800000C048098003008800002008802A05200020200002400000888014000C808203288151080610024C00108898789CCA08E80000000001000000000000000200000800008000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2-dihydroxyindane-1,3-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2-dihydroxyindene-1,3-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2-dihydroxyindene-1,3-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 2,2-bis(oxidanyl)indene-1,3-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 ninhydrin InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 FEMOMIGRRWSMCU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 178.026609 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C9H6O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 178.14154 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 74.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 178.026609 13 0 0 0 0 0 0 0 1 1