Basic information
- CAS
4471-27-6- Standard SMILES
O=C1CCCCCCCC(=O)OCCO1- InChIKey
QABJRPWOBYCMBO-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- Azelaic acid, cyclic ethylene ester
- IUPAC
- 1,4-dioxacyclotridecane-5,13-dione
Names & synonyms
1,4-Dioxacyclotridecane-5,13-dioneEthylene azelateAzelaic acid, cyclic ethylene ester4471-27-6OR 66780DTXSID70196282RefChem:320279DTXCID80118773SCHEMBL2484379STL564552AKOS030489850
Database identifiers
- CAS
4471-27-6- PubChem CID
- 199588
- DTXSID
DTXSID70196282- Nikkaji
- J3.187.279K
Properties
Computed structural properties
- XLogP
- 2
- 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
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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