spiro[4H-isochromene-1,1'-cyclohexane]-3-one
Basic information
- CAS
55223-28-4- Standard SMILES
O=C1Cc2ccccc2C2(CCCCC2)O1- InChIKey
NCDGAMRZINBRQX-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- spiro[4H-isochromene-1,1'-cyclohexane]-3-one
- IUPAC
- spiro[4H-isochromene-1,1'-cyclohexane]-3-one
Names & synonyms
55223-28-4spiro[4H-isochromene-1,1'-cyclohexane]-3-oneNSC338391DTXSID40318979NSC-338391Spiro[[2]benzopyran-1,1'-cyclohexan]-3(4H)-one
Database identifiers
- CAS
55223-28-4- PubChem CID
- 334060
- DTXSID
DTXSID40318979- Nikkaji
- J562.321I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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