Basic information
- CAS
766-35-8- Standard SMILES
O=C1C=CC2(C=C1)CC2- InChIKey
BZXPLEKVYRFVHZ-UHFFFAOYSA-N- Molecular formula
- C8H8O
- Average molar mass
- 120.15 g/mol
- Monoisotopic mass
- 120.05751487
Names & identifiers
- Preferred name
- Spiro[2.5]octa-4,7-dien-6-one
- IUPAC
- spiro[2.5]octa-4,7-dien-6-one
Names & synonyms
spiro[2.5]octa-4,7-dien-6-one766-35-8SCHEMBL14191455DTXSID706481554,7-spiro[2,5]octadien-6-onespiro[2.5]octa-4,7-dien-6-on
Database identifiers
- CAS
766-35-8- PubChem CID
- 24972725
- DTXSID
DTXSID70648155- Nikkaji
- J2.045.118A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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