Basic information
- CAS
63445-54-5- Standard SMILES
COc1cc2c(C)c(C(=O)O)oc2c(OC)c1OC- InChIKey
MFFKDRIVJPDBTL-UHFFFAOYSA-N- Molecular formula
- C13H14O6
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.07903816
Names & identifiers
- Preferred name
- 5,6,7-Trimethoxy-3-methyl-2-benzofurancarboxylic acid
- IUPAC
- 5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
Names & synonyms
5,6,7-Trimethoxy-3-methyl-2-benzofurancarboxylic acid63445-54-5RefChem:2985243-methyl-5,6,7-trimethoxybenzofuran-2-carboxylic acidDTXSID7012146235,6,7-Trimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
Database identifiers
- CAS
63445-54-5- PubChem CID
- 12378980
- DTXSID
DTXSID701214623
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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