136879 1 2 3 4 5 6 7 8 6 6 6 6 1 1 1 1 1 1 1 2 2 3 3 4 2 3 5 4 6 4 7 8 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 3 3 2 2 3.4384 3.4384 1.5616 1.5616 0.5 -0.5 0.5 -0.5 0.9384 -0.9384 0.9384 -0.9384 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371806000000000000000000000000000004000000000000000000000000000000000000018000000000008008000000000000000008000204200000000000000000808000000000800000001000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclobutadiene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H4/c1-2-4-3-1/h1-4H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HWEQKSVYKBUIIK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 52.0313001276 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 52.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 52.0313001276 4 0 0 0 0 0 0 0 1 -1