Ethyl 2,4-dioxoheptanoate

CAT: 0127-OR1037807-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1037807-01Size:5 g

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CAS Number

36983-31-0

MDL Number

MFCD08700411

Purity

95%

Smiles

CCCC(=O)CC(=O)C(=O)OCC

Chemical Information

Ethyl 2,4-dioxoheptanoate

CAS Number	36983-31-0
PubChem CID	3006750
IUPAC Name	ethyl 2,4-dioxoheptanoate
Molecular Formula	C9H14O4
Molecular Weight	186.20
XLogP	1
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	13
Formal Charge	0
Complexity	208

SMILES

CCCC(=O)CC(=O)C(=O)OCC

InChI

InChI=1S/C9H14O4/c1-3-5-7(10)6-8(11)9(12)13-4-2/h3-6H2,1-2H3

InChIKey

DMAUJRWSYKLVHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36983-31-0

CID: 3006750

Formula: C9H14O4

MW: 186.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.20
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	186.08920892
Monoisotopic Mass	186.08920892
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	208
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
OR1051684-01	Ethyl 7- (4-bromophenyl) -4,7-dioxoheptanoate
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OR346085-01	Ethyl 3-chloro-2,4-dioxopentanoate
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PC103965-01	Ethyl 5,5,5-trifluoro-2,4-dioxopentanoate
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Catalog	Name
sc-351756	Ethyl 2,4-dioxoheptanoate
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