chempirical

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

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

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

Names and synonyms

6 names
  • 1,2-Cyclobutanedicarboxylic anhydride
  • 1,2-Cyclobutanedicarboxylic acid anhydride
  • cis-1,2-Cyclobutanedicarboxylic anhydride
  • NSC 119923
  • NSC 134999
  • NSC 148995

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 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-578 % similar Hexahydrophthalic anhydride85-42-778 % similar Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride122640-83-971 % similar Rikacid mh19438-60-963 % similar Tetrahydro-1H-cyclopenta[1,2-C:3,4-C′]difuran-1,3,4,6(3ah)-tetrone6053-68-557 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-857 % similar Tetrahydrophthalic anhydride935-79-557 % 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 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 Hydroxyquinol533-73-3 Methyl 2-furoate611-13-2 Hydroxymethylfurfural67-47-0

Elsewhere

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