(3,10-Dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) acetate
Basic information
- CAS
55129-61-8- Standard SMILES
CC(=O)Oc1ccc2c(c1)C(=O)CCCCCCC(=O)O2- InChIKey
AODXMMBNZLYLCI-UHFFFAOYSA-N- Molecular formula
- C16H18O5
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.11542367
Names & identifiers
- Preferred name
- (3,10-Dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) acetate
- IUPAC
- (3,10-dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) acetate
Names & synonyms
55129-61-8NSC273036(3,10-dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) acetateDTXSID20313583NSC-2730362,9-Dioxo-2,3,4,5,6,7,8,9-octahydro-1-benzoxacycloundecin-11-yl acetate
Database identifiers
- CAS
55129-61-8- PubChem CID
- 321501
- DTXSID
DTXSID20313583
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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