Methyl 3-oxocyclobutanecarboxylate

C₆H₈O₃CAS 695-95-4128.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈O₃
Molar mass: 128.13 g/mol
Exact mass: 128.0473 Da
logP: 0.14Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

695-95-4

SMILES

COC(=O)C1CC(=O)C1

InChIKey

IHLHSAIBOSSHQV-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O3/c1-9-6(8)4-2-5(7)3-4/h4H,2-3H2,1H3

Weigh it out

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Names and synonyms

1 names

Methyl 3-oxocyclobutane-1-carboxylate

Work with Methyl 3-oxocyclobutanecarboxylate

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 3-oxocyclopentane-1-carboxylate32811-75-970 % similar Methyl 3-methylenecyclobutanecarboxylate15963-40-363 % similar Methyl 4-oxocyclohexanecarboxylate6297-22-963 % similar Methyl cyclopropanecarboxylate2868-37-363 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-263 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-063 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-158 % similar Methyl cyclopentanecarboxylate4630-80-258 % similar

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

Same formula

Glycidyl acrylate106-90-1 Ketopantolactone13031-04-4 2,2-Dimethylsuccinic anhydride17347-61-4 2,5-Bis(hydroxymethyl)furan1883-75-6 Adipic anhydride2035-75-8 Sotolon28664-35-9 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3

Elsewhere

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