3-Cyclobutene-1,2-dione

C4H2O2CAS 32936-74-682.06 g/mol

Open in Covalent MOL file
OO

Properties

Molecular formula
C4H2O2
Molar mass
82.06 g/mol
Exact mass
82.0055 Da
logP
-0.72Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
32936-74-6
SMILES
C1=CC(=O)C1=O
InChIKey
RGBVWCQARBEPPW-UHFFFAOYSA-N
InChI
InChI=1S/C4H2O2/c5-3-1-2-4(3)6/h1-2H

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Work with 3-Cyclobutene-1,2-dione

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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