6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate
Basic information
- CAS
71590-88-0- Standard SMILES
CC(=O)Oc1cc2cc(C)oc2cc1C(=O)O- InChIKey
KZZNYSRLPYZICX-UHFFFAOYSA-N- Molecular formula
- C12H10O5
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 234.05282342
Names & identifiers
- Preferred name
- 6-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, acetate
- IUPAC
- 5-acetyloxy-2-methyl-1-benzofuran-6-carboxylic acid
Names & synonyms
71590-88-0BRN 13846176-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-2-METHYL-, ACETATE5-Hydroxy-2-methyl-6-benzofurancarboxylic acid acetateDTXSID40221818RefChem:307225DTXCID701443095-Acetoxy-2-methylbenzofuran-6-carboxylic acid5-(acetyloxy)-2-methyl-1-benzofuran-6-carboxylic acid
Database identifiers
- CAS
71590-88-0- PubChem CID
- 51358
- DTXSID
DTXSID40221818- Nikkaji
- J71.515H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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