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2-heptylundecanoic acid

CAT: 0013-GTR19232976-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232976-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Heptylundecanoic acid serves as a fuel lubricity enhancer and is utilized in pharmaceutical and chemical research. Its branched-chain fatty acid structure makes it a subject of interest in lipid metabolism studies and as a potential intermediate in synthetic chemistry applications.
CAS Number
22890-21-7
Purity
≥98% (May vary between batches)
Smiles
O=C (O) C (CCCCCCC) CCCCCCCCC
Molecular Formula
C18H36O2
Molecular Weight
284.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Heptylundecanoic acid
CAS Number22890-21-7
PubChem CID14513632
IUPAC Name2-heptylundecanoic acid
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP7.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity213
SMILES
CCCCCCCCCC(CCCCCCC)C(=O)O
InChI
InChI=1S/C18H36O2/c1-3-5-7-9-10-12-14-16-17(18(19)20)15-13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
YLZIMEJTDZWVJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Heptylundecanoic acid
CAS: 22890-21-7
CID: 14513632
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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