Dimethyl 4,5-dihydroxyphthalate
Basic information
- CAS
66323-03-3- Standard SMILES
COC(=O)c1cc(O)c(O)cc1C(=O)OC- InChIKey
FXPCZDQRACWUBW-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Names & identifiers
- Preferred name
- Dimethyl 4,5-dihydroxyphthalate
- IUPAC
- dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate
- English name
- Dimethyl 4,5-dihydroxyphthalate
- Molecular formula
- C10H10O6
- Molecular weight
- 226.18
Names & synonyms
dimethyl 4,5-dihydroxyphthalate20035-53-4DTXSID603491691,2-benzenedicarboxylic acid, 4,5-dihydroxy-, dimethyl esterRefChem:338589DTXCID70300241InChI=1/C10H10O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h3-4,11-12H,1-2H66323-03-3dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylateMFCD202656971,2-dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate4,5-Bis(hydroxy)phthalic acid dimethyl ester
Show more names
1,2-Benzenedicarboxylic acid, 4,5-dihydroxy-, 1,2-dimethyl ester
Dimethyl 45-dihydroxyphthalatedimethyl4,5-dihydroxyphthalateSCHEMBL1441640AKOS022187070AS-77917SY121377DB-429642F800400
Database identifiers
- CAS
66323-03-3- PubChem CID
- 643397
- DTXSID
DTXSID60349169- Nikkaji
- J1.306.437G
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
- 141.5 · 141.5-142.5 °C
- Boiling point
- 412.1 · 412.1±40.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.09 · 7.09±0.23(Predicted)
- Appearance
- White to light brown Solid
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