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Tridecanoic acid

CAT: 0931-T3950Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T3950Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
638-53-9
Target
Antibacterial, Endogenous Metabolite
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9981
Bioactivity
Tridecanoic acid (Tridecylic Acid) is a 13-carbon saturated fatty acid found in dairy products and also as a product of anaerobic biodegradation of n-hexadecane. It has been identified as a substrate of phospholipase A2.
Smiles
CCCCCCCCCCCCC(O)=O
Molecular Formula
C13H26O2
Molecular Weight
214.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tridecanoic acid

Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.

CAS Number638-53-9
PubChem CID12530
IUPAC Nametridecanoic acid
Molecular FormulaC13H26O2
Molecular Weight214.34
XLogP4.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity143
SMILES
CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
SZHOJFHSIKHZHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tridecanoic acid
CAS: 638-53-9
CID: 12530
Formula: C13H26O2
MW: 214.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.34
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass214.193280068
Monoisotopic Mass214.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes