7859 1 2 3 4 5 6 7 8 8 6 6 6 1 1 1 1 1 1 2 2 2 3 4 2 7 3 5 6 4 8 1 1 1 1 1 3 1 1 5 255 1 2 3 4 5 6 7 8 2.5369 3.403 4.269 5.135 3.0044 3.8015 2 5.672 -0.155 -0.655 -0.155 0.345 -1.13 -1.13 -0.465 0.655 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.5 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 1 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 0000037180402000000000000000000000000000000000000000000000000000000000000000001A00000800000800A080020000000002004018000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 prop-2-yn-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-propyn-1-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 prop-2-yn-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 prop-2-yn-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 prop-2-yn-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 prop-2-yn-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TVDSBUOJIPERQY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.026214747 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#CCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#CCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 56.026214747 4 0 0 0 0 0 0 0 1 -1