3-Oxabicyclo[3.2.0]heptane-2,4-dione

C6H6O3CAS 4462-96-8126.11 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C6H6O3
Molar mass
126.11 g/mol
Exact mass
126.0317 Da
Melting point
77–78 °C
Boiling point
90–100 °C (at 0.5 Torr)
logP
0.10Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
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
4462-96-8
SMILES
O=C1OC(=O)C2CCC12
InChIKey
NMNZZIMBGSGRPN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c7-5-3-1-2-4(3)6(8)9-5/h3-4H,1-2H2

Weigh it out

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Names and synonyms

7 names
  • 1,2-Cyclobutanedicarboxylic anhydride
  • 1,2-Cyclobutanedicarboxylic acid anhydride
  • cis-1,2-Cyclobutanedicarboxylic anhydride
  • NSC 119923
  • NSC 134999
  • NSC 148995
  • 3-Oxabicyclo(3.2.0)heptane-2,4-dione

Work with 3-Oxabicyclo[3.2.0]heptane-2,4-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

cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-378 % similar (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-178 % similar Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-578 % similar trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-678 % similar Hexahydrophthalic anhydride85-42-778 % similar Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride122640-83-971 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-367 % similar Rikacid MH19438-60-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phloroglucinol108-73-6 Maltol118-71-8 Methyl furan-3-carboxylate13129-23-2 5-Methyl-2-furoic acid1917-15-3 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 Hydroxyquinol533-73-3 Methyl 2-furoate611-13-2

Elsewhere

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