7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-1-benzofuran-2-one
Basic information
- CAS
7743-51-3- Standard SMILES
CC(=O)c1c(O)c(C)c(C)c2c1OC(=O)C2C- InChIKey
PPLNFTYGVYSQGC-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- 7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-1-benzofuran-2-one
- IUPAC
- 7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-1-benzofuran-2-one
Names & synonyms
7743-51-37-acetyl-6-hydroxy-3,4,5-trimethyl-3H-1-benzofuran-2-oneNSC289566DTXSID10314887NSC-2895667-Acetyl-6-hydroxy-3,4,5-trimethyl-1-benzofuran-2(3H)-one
Database identifiers
- CAS
7743-51-3- PubChem CID
- 324378
- DTXSID
DTXSID10314887
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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