Ethyl 2,4-dioxopentanoate

CAT: 0127-OR27077-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR27077-01Size:5 g

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CAS Number

615-79-2

Synonyms

Ethyl acetopyruvate

MDL Number

MFCD00009124

Purity

97%

Smiles

CCOC(=O)C(=O)CC(=O)C

Storage Conditions

Store at 2-8°C

Chemical Information

Ethyl 2,4-dioxovalerate

CAS Number	615-79-2
PubChem CID	69208
IUPAC Name	ethyl 2,4-dioxopentanoate
Molecular Formula	C7H10O4
Molecular Weight	158.15
XLogP	0.2
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	183

SMILES

CCOC(=O)C(=O)CC(=O)C

InChI

InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

InChIKey

OYQVQWIASIXXRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 615-79-2

CID: 69208

Formula: C7H10O4

MW: 158.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.15
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	158.05790880
Monoisotopic Mass	158.05790880
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
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

Catalog	Name
OR346085-01	Ethyl 3-chloro-2,4-dioxopentanoate
PC103965-01	Ethyl 5,5,5-trifluoro-2,4-dioxopentanoate
OR30191-01	Methyl 2,4-dioxopentanoate
OR1037807-01	Ethyl 2,4-dioxoheptanoate
OR1089356-01	Ethyl 4-ethyl-2-formylbenzoate
OR1068962-01	Ethyl 2-ethyl-4-oxocyclopentanecarboxylate
OR1051684-01	Ethyl 7- (4-bromophenyl) -4,7-dioxoheptanoate
PC1017067-01	Ethyl 2-ethyl-3,4-difluorobenzoate
PC1017064-01	Ethyl 4-ethyl-2,6-difluorobenzoate
PC28259	Ethyl 2,4,4,4-tetrafluoroacetoacetate

Catalog	Name
RG-E140139-01	Ethyl 2,4-dioxopentanoate
449467-01	Ethyl 5,5,5-Trifluoro-2,4-Dioxopentanoate
E8604-80	Ethyl 2-Cyano-4,4-diethoxybutyrate (Ethyl 2,2-Diethoxyethylcyanoacetate)
sc-285529	Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
sc-396348	Ethyl (2- (4-sulfamoylphenyl) ethyl) carbamate
FE71135-01	Ethyl 2,4-dimethylbenzoate
NAA67854-01	4-Ethyl-2-methylthiophene
TN9265-01	2-Ethyl-4-methylthiazole
448971-01	Ethyl 2,4-dichloronicotinate
TRC-E916965-1G	Ethyl 2,4-Dioxovalerate