Ethyl 2-cyano-3-oxocycloheptane-1-carboxylate
Basic information
- CAS
81143-50-2- Standard SMILES
CCOC(=O)C1CCCCC(=O)C1C#N- InChIKey
ROLWFCMYFBKOFH-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-oxocycloheptane-1-carboxylate
- IUPAC
- ethyl 2-cyano-3-oxocycloheptane-1-carboxylate
Names & synonyms
Ethyl 2-cyano-3-oxocycloheptane-1-carboxylate81143-50-2DTXSID80513108RefChem:342763DTXCID60463915
Database identifiers
- CAS
81143-50-2- PubChem CID
- 12924364
- DTXSID
DTXSID80513108
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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