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Mono-Ethyl malonate

CAT: 0024-sc-228610Size: 5 gDry Ice: NoHazardous: No
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CAS Number
1071-46-1

Chemical Information

Monoethyl malonate

Monoethyl malonic acid is a dicarboxylic acid.

CAS Number1071-46-1
PubChem CID70615
IUPAC Name3-ethoxy-3-oxopropanoic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP0.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity118
SMILES
CCOC(=O)CC(=O)O
InChI
InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
HGINADPHJQTSKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monoethyl malonate
CAS: 1071-46-1
CID: 70615
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity118
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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CatalogName
QBA20426Mono-Benzyl malonate
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M4455-30Mono-Ethyl Malonate-[1,2,3-13C3] discontinued
456479-01Mono-tert-butyl Malonate
OR13710-01Mono- (tert-Butyl) malonate
OR350266-01Mono-4-nitrobenzyl Malonate
T22328Ethyl potassium malonate
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