Methyl 3-oxocyclobutanecarboxylate

C6H8O3CAS 695-95-4128.13 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

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

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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