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1131614-61-3 | 3-Iodo-4-(piperidin-1-ylmethyl)benzoic acid
CAS No: 1131614-61-3 Catalog No: AG00HCMU MDL No:
Product Description
Catalog Number:
AG00HCMU
Chemical Name:
3-Iodo-4-(piperidin-1-ylmethyl)benzoic acid
CAS Number:
1131614-61-3
IUPAC Name:
3-iodo-4-(piperidin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C13H16INO2/c14-12-8-10(13(16)17)4-5-11(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)
InChI Key:
ZYPGVRYZSLQUJP-UHFFFAOYSA-N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.18g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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