1,4-Dihydro-1,4-ethanoanthracene
Basic information
- CAS
55431-80-6- Standard SMILES
C1=CC2CCC1c1cc3ccccc3cc12- InChIKey
DOOOTGSRXLETQU-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 1,4-Dihydro-1,4-ethanoanthracene
- IUPAC
- tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,13-hexaene
Names & synonyms
1,4-Dihydro-1,4-ethanoanthracene1,4-Ethanoanthracene, 1,4-dihydro-55431-80-6SCHEMBL18145153SCHEMBL18145154DTXSID40345043DOOOTGSRXLETQU-UHFFFAOYSA-N
Database identifiers
- CAS
55431-80-6- PubChem CID
- 601381
- DTXSID
DTXSID40345043- Nikkaji
- J2.632.511K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
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Related reactions
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Compound notes
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