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101373-23-3 | Hexadecanoic acid, 16-(iodo-123I)-3-methyl- (9CI)
CAS No: 101373-23-3 Catalog No: AG0004B4 MDL No:
Product Description
Catalog Number:
AG0004B4
Chemical Name:
Hexadecanoic acid, 16-(iodo-123I)-3-methyl- (9CI)
CAS Number:
101373-23-3
Molecular Formula:
C17H33IO2
Molecular Weight:
392.3483
IUPAC Name:
16-iodo-3-methylhexadecanoic acid
InChI:
InChI=1S/C17H33IO2/c1-16(15-17(19)20)13-11-9-7-5-3-2-4-6-8-10-12-14-18/h16H,2-15H2,1H3,(H,19,20)
InChI Key:
IEYFRQLMJACEQY-UHFFFAOYSA-N
SMILES:
[123I]CCCCCCCCCCCCCC(CC(=O)O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.353g/mol
Monoisotopic Mass:
396.153g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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