3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid
Basic information
- CAS
47307-06-2- Standard SMILES
O=C(O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1- InChIKey
OVPHIYQDYJLKEW-UHFFFAOYSA-N- Molecular formula
- C14H10O9
- Average molar mass
- 322.22 g/mol
- Monoisotopic mass
- 322.03248189
Overview
3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid has been reported in Platycarya strobilacea with data available.
Names & identifiers
- Preferred name
- 3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid
- IUPAC
- 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
- English name
- 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid
- Molecular formula
- C14H10O9
- Molecular weight
- 322.22
Names & synonyms
47307-06-23,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid3,5-Dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)benzoic acidEINECS 256-307-7DTXSID70197097RefChem:91530DTXCID80119588256-307-7Benzoic acid, 3,5-dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)-Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-SCHEMBL2050244
Show more names
Mixture of p-Digallic Acid and m-Digallic Acid
OVPHIYQDYJLKEW-UHFFFAOYSA-N8G323S43GBNS000316763,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoic acid
Database identifiers
- CAS
47307-06-2- PubChem CID
- 73289
- DTXSID
DTXSID70197097- UNII
- 8G323S43GB
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 290 · 290-291 °C (decomp)
- Boiling point
- 689.4 · 689.4±55.0 °C(Predicted)
- Density
- 1.815 · 1.815±0.06 g/cm3(Predicted)
- pka
- 3.71 · 3.71±0.10(Predicted)
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Related reactions
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Compound notes
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