6-Benzofurancarboxylic acid, 2,3-dimethyl-7-hydroxy-4-methoxy-, acetate
Basic information
- CAS
71590-90-4- Standard SMILES
COc1cc(C(=O)O)c(OC(C)=O)c2oc(C)c(C)c12- InChIKey
AVZOSRQCIIXRAU-UHFFFAOYSA-N- Molecular formula
- C14H14O6
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.07903816
Names & identifiers
- Preferred name
- 6-Benzofurancarboxylic acid, 2,3-dimethyl-7-hydroxy-4-methoxy-, acetate
- IUPAC
- 7-acetyloxy-4-methoxy-2,3-dimethyl-1-benzofuran-6-carboxylic acid
Names & synonyms
BRN 13936456-BENZOFURANCARBOXYLIC ACID, 2,3-DIMETHYL-7-HYDROXY-4-METHOXY-, ACETATE71590-90-4DTXSID102218202,3-Dimethyl-7-hydroxy-4-methoxy-6-benzofurancarboxylic acid acetateRefChem:307223DTXCID401443117-(acetyloxy)-4-methoxy-2,3-dimethyl-1-benzofuran-6-carboxylic acid
Database identifiers
- CAS
71590-90-4- PubChem CID
- 51360
- DTXSID
DTXSID10221820- Nikkaji
- J71.511E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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