4-Methyl-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione
Basic information
- CAS
15052-13-8- Standard SMILES
CC12OC1C(=O)C1C3C=CC(C3)C1C2=O- InChIKey
LIVPOSAQWZNHKT-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 4-Methyl-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione
- IUPAC
- 4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
Names & synonyms
4-methyl-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione15052-13-84-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione1a-methyl-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dioneNSC266037DTXSID30313034MFCD00547217AKOS004912693NSC-266037SR-01000078500SR-01000078500-1
Database identifiers
- CAS
15052-13-8- PubChem CID
- 319929
- DTXSID
DTXSID30313034
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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