Products for Research Use Only
RegisterLogin

Diethyl 2-acetylmalonate

CAT: 0127-OR75707-01Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR75707-01Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
570-08-1
MDL Number
MFCD00026876
Purity
95%
Smiles
O=C(OCC)C(C(C)=O)C(OCC)=O

Chemical Information

1,3-Diethyl 2-acetylpropanedioate
CAS Number570-08-1
PubChem CID136365
IUPAC Namediethyl 2-acetylpropanedioate
Molecular FormulaC9H14O5
Molecular Weight202.20
XLogP0.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CCOC(=O)C(C(=O)C)C(=O)OCC
InChI
InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3
InChIKey
SQAUUQRBOCJRCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Diethyl 2-acetylpropanedioate
CAS: 570-08-1
CID: 136365
Formula: C9H14O5
MW: 202.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.20
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass202.08412354
Monoisotopic Mass202.08412354
Topological Polar Surface Area69.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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

Related Products

CatalogName
OR1078506-01Diethyl Acetonylmalonate
OR1038108-01Diethyl 2-isobutyrylmalonate
OR1071885-01Diethyl 2-oxopentanedioate
OR10853-01Diethyl 2-hydroxymalonate
OR79295-01Diethyl 2-isopropylmalonate
OR6568-01Diethyl 2-oxomalonate
OR73578Diethyl 2-cyclopropylmalonate
OR1022038-01Diethyl 2-phthalimidomalonate
OR30217Diethyl 2-propionylsuccinate
OR1042720-01Diethyl 2-hydroxypentanedioate

Alternative Products

CatalogName
TRC-D443513-1GDiethyl 2-Acetylmalonate
273762-01Diethyl acetylmalonate
D19560-01Diethyl acetylmalonate 95%
SBA39268-01Diethyl 2-cyclopropylpropanedioate
FAA32430Diethyl 2-Bromoethylphosphonate
272142-01Diethyl 2-aminomalonate
TRC-D443130-100GDiethyl 2-Acetamidomalonate
sc-326798Diethyl 2-aminoterephthalate
AR-P31447-01Diethyl 2-Bromobenzylphosphonate
D3550-68Diethyl-2-carbethoxypimelate

Popular Products