Ethyl 3-oxo cyclobuatne carboxylate

C7H10O3CAS 87121-89-9142.15 g/mol

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OOO
EsterKetone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
87121-89-9
SMILES
CCOC(=O)C1CC(=O)C1
InChIKey
BXBRFSMPBOTZHJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3

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Names and synonyms

1 names
  • Ethyl 3-oxocyclobutanecarboxylate

Work with Ethyl 3-oxo cyclobuatne carboxylate

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-oxocyclopentane-1-carboxylate5400-79-372 % similar Ethyl 3-oxocyclohexanecarboxylate33668-25-668 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-466 % similar Ethyl cyclopropanecarboxylate4606-07-965 % similar Ethyl cyclobutanecarboxylate14924-53-961 % similar Ethyl cyclopent-3-enecarboxylate21622-01-559 % similar Ethyl cyclohexanecarboxylate3289-28-959 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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