Methyl 12-Ketostearate

CAT: 0572-TRC-M315090-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M315090-100MGSize:100 mg

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CAS Number

2380-27-0

Hazard Statement

No Data Available

Purity

>95% (GC)

Smiles

CCCCCCC(=O)CCCCCCCCCCC(=O)OC

Molecular Formula

C19 H36 O3

Molecular Weight

312.49

InChI

InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3

Additionnal Information

IUPAC name: methyl 12-oxooctadecanoate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Octadecanoic acid, 12-oxo-, methyl ester

CAS Number	2380-27-0
PubChem CID	137570
IUPAC Name	methyl 12-oxooctadecanoate
Molecular Formula	C19H36O3
Molecular Weight	312.5
XLogP	6.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	22
Formal Charge	0
Complexity	274

SMILES

CCCCCCC(=O)CCCCCCCCCCC(=O)OC

InChI

InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3

InChIKey

XVSPEBNRFAFNAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2380-27-0

CID: 137570

Formula: C19H36O3

MW: 312.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	312.5
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	312.26644501
Monoisotopic Mass	312.26644501
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	274
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

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Alternative Products

Catalog	Name
282293-01	Methyl 12-ketostearate
AR-S10815-01	Methyl 12-Ketostearate-d36
WCA65536-01	Methyl 12-hydroxydodecanoate
TCL-00155-01	Methyl 12-hydroxystearate
MBS392656-01	Methyl 12-Methyltridecanoate
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

Methyl 12-Ketostearate

Chemical Information

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