7362 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 6 7 3 6 7 4 7 5 8 6 9 10 11 1 1 2 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.809 4.777 3.618 3.309 2.309 2 4.5691 3.6734 1.9446 1.4103 5.0298 -0.4197 -1.1191 0.1681 1.1191 1.1191 0.1681 -0.141 1.6207 1.6207 -0.0235 0.2739 8 8 8 8 8 1 1 3 4 5 3 6 4 5 6 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 70.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 0000037180603000000000000000000000000000000120000000000000000000000000018000001A00000000000804A090023004800004408800A85280020208002420000888014608C80C263284351E821920A4C01108A9868806000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2-carbaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-furancarboxaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2-carbaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2-carbaldehyde IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 furfural InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HYBBIBNJHNGZAN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.021129 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H4O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.08406 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)C=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)C=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 30.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 96.021129 7 0 0 0 0 0 0 0 1 1