chempirical

Methyl β-oxocyclopropanepropanoate

C7H10O3CAS 32249-35-7142.15 g/mol

Open in Covalent MOL file
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
3

Identifiers

CAS number
32249-35-7
SMILES
COC(=O)CC(=O)C1CC1
InChIKey
RIJWDPRXCXJDPK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Cyclopropanepropanoic acid, β-oxo-, methyl ester
  • Methyl 3-cyclopropyl-3-oxopropanoate
  • Methyl 3-cyclopropyl-3-oxopropionate
  • 3-Cyclopropyl-3-oxopropionic acid methyl ester
  • Methyl 2-(cyclopropylcarbonyl)acetate
  • 3-Cyclopropyl-3-oxopropanoic acid methyl ester

Work with Methyl β-oxocyclopropanepropanoate

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

Methyl 4-methyl-3-oxopentanoate42558-54-364 % similar Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-960 % similar Dimethyl malonate108-59-858 % similar 1,5-Dimethyl 3-oxopentanedioate1830-54-252 % similar Methyl acetoacetate105-45-348 % similar Methyl 3-chloro-3-oxopropanoate37517-81-047 % similar Methyl cyclopropanecarboxylate2868-37-346 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-246 % 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 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9 2,5-Dimethyl-4-methoxy-3(2H)-furanone4077-47-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook