6,7-Dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid
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Basic information
- CAS
26018-57-5- Standard SMILES
Cc1ccc2c(c1C)OC(C(=O)O)C2- InChIKey
MXSSAVDQXFOUOF-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- 6,7-Dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid
- IUPAC
- 6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
- English name
- 6,7-Dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
26018-57-56,7-Dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acidSCHEMBL11185065MXSSAVDQXFOUOF-UHFFFAOYSA-NDA-273722,3-dihydro-6,7-dimethylbenzofuran-2-carboxylic acid6,7-Dimethyl-2,3-dihydrobenzofuran-2-carboxylicacid2,3-dihydro-6,7-dimethyl-2-benzofurancarboxylic acid2-Benzofurancarboxylic acid, 2,3-dihydro-6,7-dimethyl-
Database identifiers
- CAS
26018-57-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 362.6 · 362.6±41.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 3.12 · 3.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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