9-Phenyl-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Basic information
- CAS
4602-98-6- Standard SMILES
O=C1OC(=O)C2C3C=CC(C4C=C(c5ccccc5)C43)C12- InChIKey
WRNPURQQOXPFLD-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 9-Phenyl-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
- IUPAC
- 9-phenyl-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Names & synonyms
NSC2549144602-98-6DTXSID90330429RCL T180599AKOS024329544NSC-2549145-Phenyl-3a,4,4a,6a,7,7a-hexahydro-4,7-ethenocyclobuta[f][2]benzofuran-1,3-dione
Database identifiers
- CAS
4602-98-6- PubChem CID
- 429394
- DTXSID
DTXSID90330429
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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