7290 1 2 3 4 5 6 7 8 9 10 11 12 13 17 8 8 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 6 4 12 5 13 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 1 1 4 2 5 6 7 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 6.001 4.269 2.5369 4.269 3.403 5.135 4.8059 3.8015 3.0044 5.5335 4.7365 3.732 2 0.405 -0.595 0.405 0.405 0.905 0.905 0.095 1.38 1.38 1.38 1.38 -0.905 0.715 3 4 2 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180403000040000000000000000000000000000000000000000000000000000000000001A02000800000817A080420000000002000000000000000000000000000000000003000110000000000040000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloropropane-1,2-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloropropane-1,2-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloropropane-1,2-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloropropane-1,2-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloranylpropane-1,2-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloropropane-1,2-diol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SSZWWUDQMAHNAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.0134572 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H7ClO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.54 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(CCl)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(CCl)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.0134572 6 1 0 1 0 0 0 0 1 -1