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10219-69-9 | 9,11-Octadecadienoic acid, 13-hydroxy-, (9Z,11E,13R)-
CAS No: 10219-69-9 Catalog No: AG0006UT MDL No:MFCD00084834
Product Description
Catalog Number:
AG0006UT
Chemical Name:
9,11-Octadecadienoic acid, 13-hydroxy-, (9Z,11E,13R)-
CAS Number:
10219-69-9
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
MDL Number:
MFCD00084834
IUPAC Name:
(9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoic acid
InChI:
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m1/s1
InChI Key:
HNICUWMFWZBIFP-PIHGWCCBSA-N
SMILES:
CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
2
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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