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1131614-83-9 | 3-Iodo-4-((2-Methylpiperidin-1-yl)Methyl)benzoic acid
CAS No: 1131614-83-9 Catalog No: AG00HCNE MDL No:
Product Description
Catalog Number:
AG00HCNE
Chemical Name:
3-Iodo-4-((2-Methylpiperidin-1-yl)Methyl)benzoic acid
CAS Number:
1131614-83-9
IUPAC Name:
3-iodo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C14H18INO2/c1-10-4-2-3-7-16(10)9-12-6-5-11(14(17)18)8-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)
InChI Key:
KPYKCFMYJUPGDR-UHFFFAOYSA-N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.207g/mol
Monoisotopic Mass:
359.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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