Basic information
- CAS
27725-91-3- Standard SMILES
C1COCCOCCO1- InChIKey
RCIDBLLMZGGECJ-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
9-crown-3 is a crown ether that is cyclononane in which the carbon atoms at positions 1, 4, and 7 have been replaced by oxygen atoms. It is a saturated organic heteromonocyclic parent and a crown ether.
Names & identifiers
- Preferred name
- 9-Crown-3
- IUPAC
- 1,4,7-trioxonane
Names & synonyms
1,4,7-trioxonane9-crown-31,4,7-trioxacyclononaneEthylene oxide trimerCHEBI:32400DTXSID70338923RefChem:107810DTXCID00290005RCIDBLLMZGGECJ-UHFFFAOYSA-N27725-91-3SCHEMBL2002617SCHEMBL9957328
Show more names
Q27114916
Database identifiers
- CAS
27725-91-3- PubChem CID
- 552016
- DTXSID
DTXSID70338923- ChEBI
CHEBI:32400- Nikkaji
- J814.312I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 45.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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