4-Ethoxyspiro[cyclohex-3-ene-1,9'-fluorene]-3-carbonitrile
Basic information
- CAS
6629-88-5- Standard SMILES
CCOC1=C(C#N)CC2(CC1)c1ccccc1-c1ccccc12- InChIKey
RRJPFYHXJAJFKQ-UHFFFAOYSA-N- Molecular formula
- C21H19NO
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.14666423
Names & identifiers
- Preferred name
- 4-Ethoxyspiro[cyclohex-3-ene-1,9'-fluorene]-3-carbonitrile
- IUPAC
- 2-ethoxyspiro[cyclohexene-5,9'-fluorene]-1-carbonitrile
Names & synonyms
MLS0026932846629-88-54-ethoxyspiro[cyclohex-3-ene-1,9'-fluorene]-3-carbonitrileHMS3080J12NSC60504NCIOpen2_007949CHEMBL1881083DTXSID10289369NSC-60504SMR001559241
Database identifiers
- CAS
6629-88-5- PubChem CID
- 246902
- DTXSID
DTXSID10289369- ChEMBL
CHEMBL1881083
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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