7904 1 2 3 4 5 6 7 8 9 10 11 12 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 5 5 6 6 4 5 4 4 7 8 9 6 10 11 12 1 1 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.732 2.866 2 2.866 4.5981 5.4641 2.31 1.4631 1.69 4.5981 6.001 5.4641 0.75 -0.75 0.75 0.25 0.25 0.75 1.2869 1.06 0.2131 -0.37 0.44 1.37 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 65.9 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603000000000000000000000000000000000000000000000000000000000000000001A00000000000000A080020208000004008800009208000008000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 vinyl acetate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 acetic acid ethenyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethenyl acetate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethenyl ethanoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 acetic acid vinyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XTXRWKRVRITETP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.036779 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.08924 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)OC=C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)OC=C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.036779 6 0 0 0 0 0 0 0 1 1