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Methyl heptadecanoate

CAT: 0013-GTR19216277-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216277-02Size:500 mg
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Description
Methyl heptadecanoate is a natural product.
CAS Number
1731-92-6
Product Name Alternative
Methyl heptadecanoate
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 66.67 mg/mL (234.36 mM)
Smiles
CCCCCCCCCCCCCCCCC (=O) OC
Molecular Formula
C18H36O2
Molecular Weight
284.484
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Methyl margarate

Methyl heptadecanoate is a fatty acid methyl ester.

CAS Number1731-92-6
PubChem CID15609
IUPAC Namemethyl heptadecanoate
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP8.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
CCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey
HUEBIMLTDXKIPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl margarate
CAS: 1731-92-6
CID: 15609
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP38.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
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

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