Basic information
- CAS
13030-92-7- Standard SMILES
O=C1CCCCC(=O)OCCC1- InChIKey
XVJSPKCFYMUFRT-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 2,7-Oxecanedione
- IUPAC
- oxecane-2,7-dione
Names & synonyms
2,7-Oxecanedione13030-92-7DTXSID10295884RefChem:248877DTXCID30247022oxecane-2,7-dioneoxecane-2,7-quinone6-KetononanolideNSC106088oxacyclodeca-2,7-dioneSCHEMBL3324936Nonanoic acid, .theta.-lactone
Show more names
NSC-106088
Database identifiers
- CAS
13030-92-7- PubChem CID
- 266992
- DTXSID
DTXSID10295884- Nikkaji
- J3.538.962H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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