Ethyl 3-oxoundecanoate

CAT: 0127-OR1058800-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058800-01Size:100 mg

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CAS Number

66696-89-7

MDL Number

MFCD30183587

Purity

97%

Smiles

CCCCCCCCC(CC(OCC)=O)=O

Chemical Information

Ethyl 3-oxoundecanoate

CAS Number	66696-89-7
PubChem CID	12425354
IUPAC Name	ethyl 3-oxoundecanoate
Molecular Formula	C13H24O3
Molecular Weight	228.33
XLogP	3.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Heavy Atom Count	16
Formal Charge	0
Complexity	199

SMILES

CCCCCCCCC(=O)CC(=O)OCC

InChI

InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h3-11H2,1-2H3

InChIKey

BKALCQBTSJOFLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66696-89-7

CID: 12425354

Formula: C13H24O3

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	228.17254462
Monoisotopic Mass	228.17254462
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	199
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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