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106689-05-8 | Hexadecanoic acid, 16-iodo-, methyl ester
CAS No: 106689-05-8 Catalog No: AG007BVY MDL No:
Product Description
Catalog Number:
AG007BVY
Chemical Name:
Hexadecanoic acid, 16-iodo-, methyl ester
CAS Number:
106689-05-8
Molecular Formula:
C17H33IO2
Molecular Weight:
396.3472
IUPAC Name:
methyl 16-iodohexadecanoate
InChI:
InChI=1S/C17H33IO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-16H2,1H3
InChI Key:
FOHXUGJFBSGTCP-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCCCCCCC(=O)OC
Properties
Complexity:
207
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:
0
Isotope Atom Count:
0
Molecular Weight:
396.353g/mol
Monoisotopic Mass:
396.153g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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