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123166-89-2 | 9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)- (9CI)
CAS No: 123166-89-2 Catalog No: AG000K3X MDL No:
Product Description
Catalog Number:
AG000K3X
Chemical Name:
9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)- (9CI)
CAS Number:
123166-89-2
Molecular Formula:
C18H30O3
Molecular Weight:
294.4290
IUPAC Name:
18-hydroxyoctadeca-9,11,13-trienoic acid
InChI:
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)
InChI Key:
YPHQMIRXEFDOQM-UHFFFAOYSA-N
SMILES:
OCCCC/C=C/C=C/C=C\CCCCCCCC(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.435g/mol
Monoisotopic Mass:
294.219g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.8
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