Methyl 12-oxododecanoate

CAT: 0127-OR1060338-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1060338-01Size:100 mg

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CAS Number

2009-59-8

Purity

98%

Smiles

O=C(OC)CCCCCCCCCCC=O

Chemical Information

12-Oxo-dodecanoic acid methyl ester

CAS Number	2009-59-8
PubChem CID	10421317
IUPAC Name	methyl 12-oxododecanoate
Molecular Formula	C13H24O3
Molecular Weight	228.33
XLogP	3.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	178

SMILES

COC(=O)CCCCCCCCCCC=O

InChI

InChI=1S/C13H24O3/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h12H,2-11H2,1H3

InChIKey

QFZLQCAXDXMEFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2009-59-8

CID: 10421317

Formula: C13H24O3

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	228.17254462
Monoisotopic Mass	228.17254462
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	178
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
OR1060663-01	Methyl 3-oxododecanoate
OR1045882-01	Ethyl 3-oxododecanoate
OR1073488-01	Methyl 12-oxooctadecanoate
OR1040492-01	Methyl 12-hydroxystearate
OR471516-01	Methyl 12-Bromododecanoate
OR1076349-01	12-O-Methyl clarithromycin
OR52890	Methyl-10,12-tricosadiynoate
OR1038061-01	Methyl 12-aminododecanoate (hydrochloride)
OR1070480-01	Methyl 3-oxodecanoate
BICY1002-01	Methyl-beta-cyclodextrin (DS~12)

Catalog	Name
TRC-M324720-10G	Methyl 3-Oxododecanoate
WCA65536-01	Methyl 12-hydroxydodecanoate
TCL-00155-01	Methyl 12-hydroxystearate
MBS392656-01	Methyl 12-Methyltridecanoate
TRC-M315090-500MG	Methyl 12-Ketostearate
MBS392734-01	Methyl 12-Hydroxyoctadecanoate
sc-235651B	Methyl 12-oxooctadecanoate
GTR19276346-01	Methyl 12-bromododecanoate
MBS392657-01	Methyl 12-Methyltetradecanoate
sc-215318	Methyl 12-methylmyristate