Spiro(4.4)nona-1,3,6-triene
Basic information
- CAS
766-30-3- Standard SMILES
C1=CC2(C=C1)C=CCC2- InChIKey
XBYHECVQHVXVGQ-UHFFFAOYSA-N- Molecular formula
- C9H10
- Average molar mass
- 118.18 g/mol
- Monoisotopic mass
- 118.07825032
Names & identifiers
- Preferred name
- Spiro(4.4)nona-1,3,6-triene
- IUPAC
- spiro[4.4]nona-1,3,8-triene
Names & synonyms
Spiro(4.4)nona-1,3,6-trieneSpiro[4.4]nona-1,3,6-triene766-30-3DTXSID70227404RefChem:380878DTXCID30149895
Database identifiers
- CAS
766-30-3- PubChem CID
- 136597
- DTXSID
DTXSID70227404
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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