2,5-Dimethoxyterephthalic acid
Basic information
- CAS
21004-11-5- Standard SMILES
COc1cc(C(=O)O)c(OC)cc1C(=O)O- InChIKey
PXSHXQQBOGFGTK-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773804
Names & identifiers
- Preferred name
- 2,5-Dimethoxyterephthalic acid
- IUPAC
- 2,5-dimethoxyterephthalic acid
- English name
- 2,5-Dimethoxy-1,4-benzenedicarboxylic acid
- Molecular formula
- C10H10O6
- Molecular weight
- 226.18
Names & synonyms
21004-11-52,5-Dimethoxyterephthalic acid2,5-Dimethoxy-1,4-benzenedicarboxylic acid2,5-dimethoxybenzene-1,4-dicarboxylic acid1,4-Benzenedicarboxylic acid, 2,5-dimethoxy-2,5-DimethoxyterephthalicacidMFCD00965390SCHEMBL2830233DTXSID20396331PXSHXQQBOGFGTK-UHFFFAOYSA-NBBL036232STL445246
Show more names
2,5-dimethoxy-1,4-benzenedimacetic acid
AKOS022655654SY236840VS-13374CS-0170468G63898F571934
Database identifiers
- CAS
21004-11-5- PubChem CID
- 3780992
- DTXSID
DTXSID20396331- Nikkaji
- J83.051H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 265 °C · 265 °C
- Boiling point
- 434.1 · 434.1±45.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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