2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
• CAS No.: 942474-88-6
• Molecular Formula: C15H18N2O6
• Molecular Weight: 322.31
• DSSTox Substance ID: DTXSID001189782
• Mol file: 942474-88-6.mol

Synonyms:2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid;942474-88-6;2-(4-(Ethoxycarbonyl)piperidin-1-yl)-3-nitrobenzoic acid;2-(4-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid;DTXSID001189782;AKOS015838798;2-(4-(Ethoxycarbonyl)piperidin-1-yl)-3-nitrobenzoicacid;4-Ethyl 1-(2-carboxy-6-nitrophenyl)-4-piperidinecarboxylate

Chemical Property of 2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid

Chemical Property:

• PKA: 2.20±0.40(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 322.11648630
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

2-[4-(Ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O