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130523-93-2 | 9,13,15-Octadecatrienoic acid, 14,18-dihydroxy-12-oxo-, (9Z,13Z,15E)-
CAS No: 130523-93-2 Catalog No: AG000UKH MDL No:
Product Description
Catalog Number:
AG000UKH
Chemical Name:
9,13,15-Octadecatrienoic acid, 14,18-dihydroxy-12-oxo-, (9Z,13Z,15E)-
CAS Number:
130523-93-2
Molecular Formula:
C18H28O5
Molecular Weight:
324.4119
IUPAC Name:
14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
InChI:
InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)
InChI Key:
LFTUCYCUYUJMJB-UHFFFAOYSA-N
SMILES:
OCC/C=C/C(=C/C(=O)C/C=C\CCCCCCCC(=O)O)/O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.417g/mol
Monoisotopic Mass:
324.194g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.5
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