54758533 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 5 6 6 6 7 7 8 8 8 9 9 10 11 11 11 12 12 12 13 13 14 14 15 7 9 16 4 33 16 32 6 7 17 18 12 19 20 21 22 10 11 13 10 14 23 16 24 25 26 27 28 15 29 15 30 31 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 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 7.1962 7.1962 6.3301 2.866 2.866 3.732 5.4641 4.5981 4.5981 5.4641 2 6.3301 5.4641 6.3301 6.3301 2.654 2.2554 3.0781 3.4766 3.9441 4.3426 4.0611 5.252 4.8535 1.69 1.4631 2.31 6.8671 5.4641 6.8671 5.7932 7.1962 -1.31 1.69 3.69 3.19 -2.81 -3.81 -2.31 0.69 -0.81 0.19 1.69 -4.31 0.19 -1.31 -0.81 2.19 -2.2274 -2.9177 -4.3926 -3.7023 -2.8926 -2.2023 0.5 2.2726 1.5823 -3.7731 -4.62 -4.8469 0.5 -1.93 -1.12 3.5 4.31 8 8 8 8 8 8 8 8 9 9 13 14 10 13 10 14 15 15 0 Compound Canonicalized 5 2012.01.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 208 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0723000000000000000000000000000000000000000300000000000000000010000001E00140800000C04A198023206805004008802215210000208002020002888010608880C263284B51B823820A4D01108A80798DCB0CE00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)ethanehydroxamic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)-N-hydroxyacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)-<I>N</I>-hydroxyacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)-N-hydroxyacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)-N-oxidanyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-butoxyphenyl)ethanehydroxamic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H17NO3/c1-2-3-7-16-11-6-4-5-10(8-11)9-12(14)13-15/h4-6,8,15H,2-3,7,9H2,1H3,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WRRCDZYAJXERQT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 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 CCCCOC1=CC=CC(=C1)CC(=O)NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCOC1=CC=CC(=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 0 0 0 0 0 0 0 1 -1