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89617-88-9 | Octadecanoic acid, 2-hydroxy-3-iodopropyl ester
CAS No: 89617-88-9 Catalog No: AG003X0L MDL No:
Product Description
Catalog Number:
AG003X0L
Chemical Name:
Octadecanoic acid, 2-hydroxy-3-iodopropyl ester
CAS Number:
89617-88-9
Molecular Formula:
C21H41IO3
Molecular Weight:
468.4529
IUPAC Name:
(2-hydroxy-3-iodopropyl) octadecanoate
InChI:
InChI=1S/C21H41IO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,23H,2-19H2,1H3
InChI Key:
WPWMCTMTRFWXNS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(CI)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.46g/mol
Monoisotopic Mass:
468.21g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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