137849 1 2 3 4 5 6 8 6 6 1 1 1 3 2 1 2 2 2 2 3 3 4 5 6 2 1 1 1 1 1 5 255 1 2 3 4 5 6 3.732 2 2.866 2.31 1.4631 1.69 0.25 0.25 -0.25 0.7869 0.56 -0.2869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037100402000000000000000000000000000000000000000000000000000000000000000001A000000000000008080000200000000000800001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3O/c1-2-3/h1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TUCNEACPLKLKNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.018389715 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C]=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C]=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.018389715 3 0 0 0 0 0 0 0 1 -1