Basic information
- CAS
115966-98-8- Standard SMILES
O=C1OC(=O)C23CCCC12C1CCC3O1- InChIKey
PEKHINVAKVDWJS-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Hexahydro-1H-4,7-epoxy-3a,7a-(methanooxymethano)indene-8,10-dione
- IUPAC
- 8,13-dioxatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
Names & synonyms
115966-98-8DTXSID70921879Hexahydro-1H-4,7-epoxy-3a,7a-(methanooxymethano)indene-8,10-dioneRefChem:1086542DTXCID901350770Tetrahydro-1H,3H-4beta,7beta-epoxy-3aalpha,7aalpha-propanoisobenzofuran-1,3-dioneCHEMBL81761H,3H-4,7-Epoxy-3a,7a-propanoisobenzofuran-1,3-dione, tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-SCHEMBL20618531
Database identifiers
- CAS
115966-98-8- PubChem CID
- 198705
- DTXSID
DTXSID70921879- ChEMBL
CHEMBL8176
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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