Basic information
- CAS
71590-89-1- Standard SMILES
CC(=O)Oc1cc2c(C)c(C)oc2cc1C(=O)O- InChIKey
FFHJYGXUEYWDNO-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate
- IUPAC
- 5-acetyloxy-2,3-dimethyl-1-benzofuran-6-carboxylic acid
Names & synonyms
BRN 13879096-BENZOFURANCARBOXYLIC ACID, 2,3-DIMETHYL-5-HYDROXY-, ACETATE2,3-Dimethyl-5-hydroxy-6-benzofurancarboxylic acid acetate71590-89-1DTXSID002218195-18-07-00384 (Beilstein Handbook Reference)RefChem:307222DTXCID801443105-(acetyloxy)-2,3-dimethyl-1-benzofuran-6-carboxylic acid
Database identifiers
- CAS
71590-89-1- PubChem CID
- 51359
- DTXSID
DTXSID00221819- Nikkaji
- J71.510G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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