Methyl Tridecanoate

CAT: 1489-M7410-02Size: 5 mLDry Ice: NoHazardous: No

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CAT#:1489-M7410-02Size:5 mL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1731-88-0

Purity

0.97

Chemical Information

Methyl tridecanoate

Methyl tridecanoate is a fatty acid methyl ester.

CAS Number	1731-88-0
PubChem CID	15608
IUPAC Name	methyl tridecanoate
Molecular Formula	C14H28O2
Molecular Weight	228.37
XLogP	6.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	155

SMILES

CCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

InChIKey

JNDDPBOKWCBQSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1731-88-0

CID: 15608

Formula: C14H28O2

MW: 228.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.37
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	228.208930132
Monoisotopic Mass	228.208930132
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
456006-01	Methyl Tridecanoate
HY-W004287R-01	Methyl tridecanoate (Standard)
sc-487317	Methyl-d3 Tridecanoate
HY-W004287S-01	Methyl tridecanoate-d25
M29690-01	Methyl tridecanoate 97%
T84152	Ethyl tridecanoate
MBS5768191-01	Testosterone tridecanoate
C11295	Glyceryl tridecanoate