Methyl 3-oxohexadecanoate

CAT: 0127-OR1061144-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061144-02Size:250 mg

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

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CAS Number

14427-53-3

Purity

98%

Smiles

CCCCCCCCCCCCCC(CC(OC)=O)=O

Chemical Information

Methyl 3-oxohexadecanoate

CAS Number	14427-53-3
PubChem CID	84430
IUPAC Name	methyl 3-oxohexadecanoate
Molecular Formula	C17H32O3
Molecular Weight	284.4
XLogP	6.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	20
Formal Charge	0
Complexity	249

SMILES

CCCCCCCCCCCCCC(=O)CC(=O)OC

InChI

InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h3-15H2,1-2H3

InChIKey

OEEDRMFBAHHVQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14427-53-3

CID: 84430

Formula: C17H32O3

MW: 284.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.4
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	284.23514488
Monoisotopic Mass	284.23514488
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	249
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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