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13-Hydroxy-9-octadecenoic acid

CAT: 0931-T200103-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T200103-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
324575-43-1
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
13-Hydroxy-9-octadecenoic acid, a hydroxy unsaturated fatty acid (HUFA), exhibits anti-fungal activity.
Smiles
O=C(O)CCCCCCCC=CCCC(O)CCCCC
Molecular Formula
C18H34O3
Molecular Weight
298.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

13-Hydroxy-9-octadecenoic acid
CAS Number324575-43-1
PubChem CID22572147
IUPAC Name(E)-13-hydroxyoctadec-9-enoic acid
Molecular FormulaC18H34O3
Molecular Weight298.5
XLogP5.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CCCCCC(CC/C=C/CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7+
InChIKey
QVAVREIGSFJSOU-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of 13-Hydroxy-9-octadecenoic acid
CAS: 324575-43-1
CID: 22572147
Formula: C18H34O3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass298.25079494
Monoisotopic Mass298.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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