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121979-39-3 | 6,8,12-Octadecatrienoic acid, 10,11-dihydroxy-, [R*,R*-(Z,E,Z)]- (9CI)
CAS No: 121979-39-3 Catalog No: AG0016I5 MDL No:
Product Description
Catalog Number:
AG0016I5
Chemical Name:
6,8,12-Octadecatrienoic acid, 10,11-dihydroxy-, [R*,R*-(Z,E,Z)]- (9CI)
CAS Number:
121979-39-3
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
10,11-dihydroxyoctadeca-6,8,12-trienoic acid
InChI:
InChI=1S/C18H30O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h5,8,10-11,13-14,16-17,19-20H,2-4,6-7,9,12,15H2,1H3,(H,21,22)
InChI Key:
DVKUEUADFHEKNX-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(C(C=CC=CCCCCC(=O)O)O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
3
XLogP3:
3.7
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