Basic information
- CAS
1016-42-8- Standard SMILES
CC(=O)Oc1ccccc2cc(=O)oc1-2- InChIKey
IEDKREJMTMFXER-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 8-(Acetyloxy)-2H-cyclohepta[b]furan-2-one
- IUPAC
- (2-oxocyclohepta[b]furan-8-yl) acetate
Names & synonyms
1016-42-88-(Acetyloxy)-2H-cyclohepta[b]furan-2-one8-(Acetyloxy)-2H-cyclohepta(b)furan-2-oneRefChem:3116382-Oxo-2H-cyclohepta[b]furan-8-yl acetateIEDKREJMTMFXER-UHFFFAOYSA-NDTXSID6012718962-Oxo-2H-cyclohepta[b]furan-8-yl acetate #2,4,6-Cycloheptatriene-.delta.1,.alpha.-acetic acid, 2,3-dihydroxy-, .gamma.-lactone, acetate
Database identifiers
- CAS
1016-42-8- PubChem CID
- 595458
- DTXSID
DTXSID601271896- Nikkaji
- J1.398.573A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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