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1131614-81-7 | 4-(4,4-Dimethylpiperidin-1-yl)-3-iodobenzoic acid
CAS No: 1131614-81-7 Catalog No: AG00HCNC MDL No:
Product Description
Catalog Number:
AG00HCNC
Chemical Name:
4-(4,4-Dimethylpiperidin-1-yl)-3-iodobenzoic acid
CAS Number:
1131614-81-7
IUPAC Name:
4-(4,4-dimethylpiperidin-1-yl)-3-iodobenzoic acid
InChI:
InChI=1S/C14H18INO2/c1-14(2)5-7-16(8-6-14)12-4-3-10(13(17)18)9-11(12)15/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChI Key:
SHGVHBAFLCSMIV-UHFFFAOYSA-N
Properties
Complexity:
309
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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