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117675-23-7 | 5,8,11-Eicosatrienoicacid, 15-hydroxy-14-iodo-
CAS No: 117675-23-7 Catalog No: AG0081GB MDL No:
Product Description
Catalog Number:
AG0081GB
Chemical Name:
5,8,11-Eicosatrienoicacid, 15-hydroxy-14-iodo-
CAS Number:
117675-23-7
Molecular Formula:
C20H33IO3
Molecular Weight:
448.3787
IUPAC Name:
15-hydroxy-14-iodoicosa-5,8,11-trienoic acid
InChI:
InChI=1S/C20H33IO3/c1-2-3-12-16-19(22)18(21)15-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)
InChI Key:
YSGGLZAREQBHBB-UHFFFAOYSA-N
SMILES:
CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)I)O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.385g/mol
Monoisotopic Mass:
448.147g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
3
XLogP3:
5.9
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