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89022-21-9 | 11-Octadecenoic acid, 9,10,13-trihydroxy-, ethyl ester
CAS No: 89022-21-9 Catalog No: AG0042S8 MDL No:
Product Description
Catalog Number:
AG0042S8
Chemical Name:
11-Octadecenoic acid, 9,10,13-trihydroxy-, ethyl ester
CAS Number:
89022-21-9
Molecular Formula:
C20H38O5
Molecular Weight:
358.5127
IUPAC Name:
ethyl 9,10,13-trihydroxyoctadec-11-enoate
InChI:
InChI=1S/C20H38O5/c1-3-5-9-12-17(21)15-16-19(23)18(22)13-10-7-6-8-11-14-20(24)25-4-2/h15-19,21-23H,3-14H2,1-2H3
InChI Key:
MSANCDHVJFNBQD-UHFFFAOYSA-N
SMILES:
CCCCCC(C=CC(C(CCCCCCCC(=O)OCC)O)O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.272g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.519g/mol
Monoisotopic Mass:
358.272g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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