4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
Basic information
- CAS
55054-47-2- Standard SMILES
O=C1CC2C3C=CC(C12)C1C(=O)OC(=O)C31- InChIKey
MHUKENDPGXRGIQ-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
- IUPAC
- 4-oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
Names & synonyms
NSC16753255054-47-2DTXSID30304841RCL T180130AKOS024329520NSC-167532Hexahydro-4,7-ethenocyclobuta[f][2]benzofuran-1,3,5(3aH)-trione
Database identifiers
- CAS
55054-47-2- PubChem CID
- 296958
- DTXSID
DTXSID30304841
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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