Ethyl 4-oxooctanoate

CAT: 0127-OR1064897-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1064897-01Size:100 mg

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CAS Number

37174-96-2

MDL Number

MFCD00520679

Purity

95%

Smiles

CCCCC(CCC(OCC)=O)=O

Chemical Information

Ethyl 4-oxooctanoate

CAS Number	37174-96-2
PubChem CID	11830138
IUPAC Name	ethyl 4-oxooctanoate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	164

SMILES

CCCCC(=O)CCC(=O)OCC

InChI

InChI=1S/C10H18O3/c1-3-5-6-9(11)7-8-10(12)13-4-2/h3-8H2,1-2H3

InChIKey

IKNPZDWWOFUFHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37174-96-2

CID: 11830138

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	164
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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