5-Hydroxybenzene-1,2,4-tricarboxylic acid
Basic information
- CAS
4961-03-9- Standard SMILES
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O- InChIKey
BOPPPUCSDSHZEZ-UHFFFAOYSA-N- Molecular formula
- C9H6O7
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 226.01135253
Names & identifiers
- Preferred name
- 5-Hydroxybenzene-1,2,4-tricarboxylic acid
- IUPAC
- 5-hydroxybenzene-1,2,4-tricarboxylic acid
- English name
- 5-HYDROXYBENZENE-1,2,4-TRICARBOXYLIC ACID
- Molecular formula
- C9H6O7
- Molecular weight
- 226.14
Names & synonyms
5-hydroxybenzene-1,2,4-tricarboxylic acid4961-03-9DTXSID10384323RefChem:303461DTXCID80335347SCHEMBL3387451BOPPPUCSDSHZEZ-UHFFFAOYSA-NDB-0263474-Hydroxy-benzene-1,2,5-tricarboxylic acid5-hydroxy- 1,2,4-Benzenetricarboxylic acid5-hydroxy-1,2,4-benzene-tricarboxylic acid5-Hydroxy-benzol-1,2,4-tricarbonsaeure
Show more names
5-Hydroxy-1,2,4-benzenetricarboxylic acid1,2,4-Benzenetricarboxylic acid, 5-hydroxy-5-Hydroxybenzene-1,2,4-tricarboxylic acid, tech
Database identifiers
- CAS
4961-03-9- PubChem CID
- 2801765
- DTXSID
DTXSID10384323- Nikkaji
- J1.781.963A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 241 °C · 241 °C (decomp)
- Boiling point
- 543.5 · 543.5±50.0 °C(Predicted)
- Density
- 1.802 · 1.802±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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