Basic information
- CAS
88090-38-4- Standard SMILES
C1=CC2C=CC1C13C=CC21C=C3- InChIKey
RDIUVVQMLJOTAO-UHFFFAOYSA-N- Molecular formula
- C12H10
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.07825032
Names & identifiers
- Preferred name
- 2,5-Etheno(4.2.2)propella-3,7,9-triene
- IUPAC
- tetracyclo[4.2.2.22,5.01,6]dodeca-3,7,9,11-tetraene
Names & synonyms
2,5-Etheno[4.2.2]propella-3,7,9-triene2,5-Etheno(4.2.2)propella-3,7,9-trieneDTXSID2023680988090-38-4RefChem:247694DTXCID00159300RDIUVVQMLJOTAO-UHFFFAOYSA-NTetracyclo[4.2.2.2~2,5~.0~1,6~]dodeca-3,7,9,11-tetraene
Database identifiers
- CAS
88090-38-4- PubChem CID
- 145152
- DTXSID
DTXSID20236809
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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