Ethyl 3-oxopentanoate

CAT: 0013-GTR19245510-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19245510-01Size:50 g

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Description

Ethyl 3-oxopentanoate is an organic ester compound commonly employed as a reactant or solvent in organic synthesis. It serves as a crucial raw material in the production of pharmaceuticals, food flavorings, and fragrances. Additionally, its stability and reactivity in certain chemical reactions make it widely used in various industrial processes. While it does not have direct applications in medicine, Ethyl 3-oxopentanoate retains significant importance in both chemical research and industrial sectors.

CAS Number

4949-44-4

Smiles

CCOC (CC (CC) =O) =O

Molecular Formula

C7H12O3

Molecular Weight

144.1684

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ethyl 3-oxovalerate

CAS Number	4949-44-4
PubChem CID	78656
IUPAC Name	ethyl 3-oxopentanoate
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

CCC(=O)CC(=O)OCC

InChI

InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3

InChIKey

UDRCONFHWYGWFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4949-44-4

CID: 78656

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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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Catalog	Name
TYD-00759-01	Ethyl 3-oxopentanoate
HY-78211S-01	Ethyl 3-oxopentanoate-d3
FE140225-01	Ethyl 2-oxopentanoate
HY-W010293	Ethyl 4-oxopentanoate
OR1059784-01	Ethyl 5-cyclopentyl-3-oxopentanoate
OR1070102-01	Ethyl 5- (benzyloxy) -3-oxopentanoate
NEA26443-01	Ethyl 3-bromo-2-oxopentanoate
448916-01	Ethyl 2-fluoro-3-oxopentanoate
OR40236-01	Ethyl 4-methyl-3-oxopentanoate
TAA83502-01	Ethyl 3-acetyl-4-oxopentanoate

Ethyl 3-oxopentanoate

Chemical Information

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