Basic information
- CAS
461045-29-4- Standard SMILES
COC(=O)CCC(/C=C/C=O)OC(C)=O- InChIKey
FOQLASGSZIKIAE-ONEGZZNKSA-N- Molecular formula
- C10H14O5
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08412354
Names & identifiers
- Preferred name
- Methyl (5E)-4-(acetyloxy)-7-oxo-5-heptenoate
- IUPAC
- methyl (E)-4-acetyloxy-7-oxohept-5-enoate
Names & synonyms
Methyl (5E)-4-(acetyloxy)-7-oxo-5-heptenoateDTXSID301255504461045-29-4Methyl (5E)-4-(acetyloxy)-7-oxohept-5-enoate
Database identifiers
- CAS
461045-29-4- PubChem CID
- 13631069
- DTXSID
DTXSID301255504
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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