4696 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 7 8 8 8 9 10 10 6 8 7 11 6 17 11 6 7 10 12 9 9 13 14 15 11 16 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 6 1 3 5 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2 4.6783 2.866 6.2619 3.732 2.866 3.732 2 2.866 4.6783 5.2619 3.403 1.3894 1.788 2.866 4.8709 2.3291 -0.155 -1.4597 1.345 -0.655 -0.155 0.345 -1.155 -1.155 -1.655 0.1497 -0.655 0.655 -1.0473 -1.7376 -2.275 0.7391 1.655 3 6 3 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 264 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603800000000000000000000000000000100000000200000000000000040000000001A00000800000C04B08003000800000600880220D208000008002020000008000000481814000021000250000140000CB1020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZRWPUFFVAOMMNM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.026609 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H6O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.12014 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C=C2C(=CC(=O)O2)C(O1)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1C=C2C(=CC(=O)O2)C(O1)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 55.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.026609 11 1 0 1 0 0 0 0 1 1