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Ethyl Acetoacetate 99% GC

CAT: 1507-1143B 00500Size: 500 mLDry Ice: NoHazardous: No
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CAT#:1507-1143B 00500Size:500 mL
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CAS Number
141-97-9
HSN Code
29183020

Chemical Information

Ethyl Acetoacetate

Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as an antibacterial agent, a flavouring agent and a plant metabolite. It is functionally related to an acetoacetic acid.

CAS Number141-97-9
PubChem CID8868
IUPAC Nameethyl 3-oxobutanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CCOC(=O)CC(=O)C
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Acetoacetate
CAS: 141-97-9
CID: 8868
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-Y1093-01Ethyl acetoacetate
HY-Y1093S1Ethyl acetoacetate-13C4
HY-Y1093S3-01Ethyl acetoacetate-13c
DE2137Ethyl acetoacetate-D5
523105Ethyl Acetoacetate AR

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