Basic information
- CAS
2674-47-7- Standard SMILES
O=C1OC2(CCCCC2)Cc2ccccc21- InChIKey
IHIMQESWAIGVLZ-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one
- IUPAC
- spiro[4H-isochromene-3,1'-cyclohexane]-1-one
Names & synonyms
2674-47-7spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-oneNSC97446DTXSID80294622NSC-97446NS00122218Spiro[[2]benzopyran-3,1'-cyclohexan]-1(4H)-one
Database identifiers
- CAS
2674-47-7- PubChem CID
- 263111
- DTXSID
DTXSID80294622- Nikkaji
- J515.083C
Properties
Computed structural properties
- XLogP
- 3.4
- 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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