Ethyl 3-cyclopropyl-3-oxopropanoate

C₈H₁₂O₃CAS 24922-02-9156.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂O₃
Molar mass: 156.18 g/mol
Exact mass: 156.0786 Da
Boiling point: 99–101 °C (at 11 Torr)
logP: 0.92Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

24922-02-9

SMILES

CCOC(=O)CC(=O)C1CC1

InChIKey

LFSVADABIDBSBV-UHFFFAOYSA-N

InChI

InChI=1S/C8H12O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6H,2-5H2,1H3

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Names and synonyms

6 names

Cyclopropanepropanoic acid, β-oxo-, ethyl ester
Cyclopropanepropionic acid, β-oxo-, ethyl ester
Carbethoxymethyl cyclopropyl ketone
Ethyl 3-cyclopropyl-3-oxopropionate
Ethyl β-cyclopropyl-β-ketopropionate
NSC 97121

Work with Ethyl 3-cyclopropyl-3-oxopropanoate

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 3-cyclopentyl-3-oxopropanoate24922-00-786 % similar Ethyl isobutyrylacetate7152-15-067 % similar 4,4-Difluoro-3-oxobutanoic acid ethyl ester352-24-965 % similar Diethyl malonate105-53-362 % similar Methyl β-oxocyclopropanepropanoate32249-35-760 % similar tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate479630-08-559 % similar Diethyl 1,3-acetonedicarboxylate105-50-055 % similar Ethyl 2-(2-oxocyclopentyl)acetate20826-94-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Oxolan-2-yl 2-methylprop-2-enoate15895-80-4 Tetrahydrofurfuryl acrylate2399-48-6 Ethyl 1-acetylcyclopropanecarboxylate32933-03-2 3,4-Epoxycyclohexanecarboxylate methyl ester41088-52-2 Methyl 2-cyclohexanonecarboxylate41302-34-5 1,4-Dioxaspiro[4.5]decan-8-one4746-97-8 Methyl 7-hydroxyhept-5-ynoate50781-91-4 Ethyl 3-oxocyclopentane-1-carboxylate5400-79-3

Elsewhere

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