Basic information
- CAS
123332-46-7- Standard SMILES
CCCCC1=CC(=O)c2occc2C1=O- InChIKey
BVHCBTOEYJWSNO-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 1-Benzofuran-4,7-dione, 5-butyl-
- IUPAC
- 5-butyl-1-benzofuran-4,7-dione
Names & synonyms
5-Butyl-1-benzofuran-4,7-dione1-Benzofuran-4,7-dione, 5-butyl-123332-46-7DTXSID30153977RefChem:227800DTXCID5076468CHEMBL164283
Database identifiers
- CAS
123332-46-7- PubChem CID
- 183644
- DTXSID
DTXSID30153977- ChEMBL
CHEMBL164283- Nikkaji
- J265.277C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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