54758532 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 15 5 8 16 4 33 16 32 6 7 17 9 18 19 20 21 22 11 12 23 24 25 13 14 15 13 26 14 27 30 31 16 28 29 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 1 6 7 17 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 3.732 5.4641 5.4641 4.5981 2.866 2.866 2 3.732 2 3.732 4.5981 2.866 4.5981 2.866 3.732 4.5981 2.866 3.0781 3.4766 2.31 1.4631 1.69 1.69 1.4631 2.31 5.135 2.3291 3.52 3.1215 5.135 2.3291 4.0611 5.4641 -2.31 1.69 3.69 3.19 -2.81 -3.81 -2.31 -1.31 -4.31 0.69 -0.81 -0.81 0.19 0.19 1.69 2.19 -2.19 -4.3926 -3.7023 -1.7731 -2 -2.8469 -3.7731 -4.62 -4.8469 -1.12 -1.12 2.2726 1.5823 0.5 0.5 3.5 4.31 3 8 8 8 8 8 8 5 8 8 10 10 11 12 7 11 12 13 14 13 14 0 Compound Canonicalized 5 2012.01.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 212 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0723000000000000000000000000000000000000000300000000000000000010000001E00140800000C14A198023206805004008802215210000208002020002888010608880C263284B51B823820A4D01108A80798C8808E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-sec-butoxyphenyl)ethanehydroxamic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butan-2-yloxyphenyl)-<I>N</I>-hydroxyacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butan-2-yloxyphenyl)-N-hydroxyacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-butan-2-yloxyphenyl)-N-oxidanyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-sec-butoxyphenyl)ethanehydroxamic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-10(5-7-11)8-12(14)13-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TWTMAFTUABPIAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.12084340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H17NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(C)OC1=CC=C(C=C1)CC(=O)NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(C)OC1=CC=C(C=C1)CC(=O)NO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.12084340 16 1 0 1 0 0 0 0 1 -1