Diethyl acetylmalonate

C9H14O5CAS 570-08-1202.21 g/mol

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Properties

Molecular formula
C9H14O5
Molar mass
202.21 g/mol
Exact mass
202.0841 Da
logP
0.32Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
570-08-1
SMILES
CCOC(=O)C(C(=O)C)C(=O)OCC
InChIKey
SQAUUQRBOCJRCW-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • 1,3-Diethyl 2-acetylpropanedioate

Work with Diethyl acetylmalonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl diacetylacetate603-69-092 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-371 % similar Ethyl 2-methylacetoacetate609-14-366 % similar Ethyl 2-fluoro-3-oxobutanoate1522-41-463 % similar Ethyl 2-ethylacetoacetate607-97-663 % similar Ethyl 2-chloroacetoacetate609-15-463 % similar Ethyl α-isopropylacetoacetate1522-46-961 % similar Diethyl 2-acetylsuccinate1115-30-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl 1,3-acetonedicarboxylate105-50-0 Acrylic acid-2-hydroxypropyl acrylate copolymer55719-33-0 1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-9

Elsewhere

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