Bicyclo(4.4.1)undeca-1,3,5,8-tetralene

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Basic information

CAS: 6074-99-3
Standard SMILES: C1=CC2C=CC=CC(C=C1)C2
InChIKey: ZVYFTKULEILVHY-UHFFFAOYSA-N
Molecular formula: C11H12
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.09390038

Names & identifiers

Preferred name: Bicyclo(4.4.1)undeca-1,3,5,8-tetralene
IUPAC: bicyclo[4.4.1]undeca-2,4,7,9-tetraene

Names & synonyms

Bicyclo(4.4.1)undeca-1,3,5,8-tetraleneDTXSID702095636074-99-3Bicyclo[4.4.1]undeca-1,3,5,8-tetraleneRefChem:329410DTXCID20132054bicyclo[4.4.1]undeca-2,4,7,9-tetraene

Database identifiers

CAS: 6074-99-3
PubChem CID: 138653
DTXSID: DTXSID70209563

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 191

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Compound notes

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