3-Iodo-4-(3-methyl-1-piperidinyl)benzoic acid

ChemSpider ID: 23960144
Molecular Formula: C₁₃H₁₆INO₂
Average mass: 345.176086 Da
Monoisotopic mass: 345.022552 Da
Systematic name

3-Iodo-4-(3-methyl-1-piperidinyl)benzoic acid
SMILES and InChIs

SMILES:

CC1CCCN(C1)c2ccc(cc2I)C(=O)O Copied

Std. InChI:

InChI=1S/C13H16INO2/c1-9-3-2-6-15(8-9)12-5-4-10(13(16)17)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17) Copied

Std. InChIKey:

UCMDMVVSPHRIGO-UHFFFAOYSA-N Copied
Cite this record
CSID:23960144, http://www.chemspider.com/Chemical-Structure.23960144.html (accessed 04:40, May 25, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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