Basic information
- CAS
94771-34-3- Standard SMILES
O=c1ccc2ccccc3ccc1c23- InChIKey
LSXBVYWLVYBSIJ-UHFFFAOYSA-N- Molecular formula
- C13H8O
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.05751487
Names & identifiers
- Preferred name
- 3H-Benz(cd)azulen-3-one
- IUPAC
- tricyclo[6.4.1.04,13]trideca-1(12),2,4(13),6,8,10-hexaen-5-one
Names & synonyms
3H-Benz(cd)azulen-3-one94771-34-33H-Benzo[cd]azulen-3-oneDTXSID70241600
Database identifiers
- CAS
94771-34-3- PubChem CID
- 178753
- DTXSID
DTXSID70241600
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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