Basic information
- CAS
23781-83-1- Standard SMILES
c1ccc(-c2ccccc3cccc2-3)cc1- InChIKey
DRLPIZOXKOINKK-UHFFFAOYSA-N- Molecular formula
- C16H12
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.09390038
Names & identifiers
- Preferred name
- 4-Phenylazulene
- IUPAC
- 4-phenylazulene
- English name
- 4-Phenylazulene
- Molecular formula
- C16H12
- Molecular weight
- 204.27
Names & synonyms
4-Phenylazulene23781-83-1DTXSID80547024RefChem:295506DTXCID304978084-PhenylazulenSCHEMBL15863475Azulene, 4-phenyl-
Database identifiers
- CAS
23781-83-1- PubChem CID
- 13699002
- DTXSID
DTXSID80547024- Nikkaji
- J88.196A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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