5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid

Base Information

• Chemical Name: 5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid
• CAS No.: 1000018-45-0
• Molecular Formula: C13H16N2O4
• Molecular Weight: 264.28
• DSSTox Substance ID: DTXSID601248499
• Mol file: 1000018-45-0.mol

Synonyms:5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid;1000018-45-0;DTXSID601248499;MFCD09743729;AKOS000214595;AKOS017268561;5-(3-Methylpiperidin-1-yl)-2-nitrobenzoicacid;5-(3-Methyl-1-piperidinyl)-2-nitrobenzoic acid

Chemical Property of 5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O