precursor
Showing entry for 2,6-Dihydroxybenzoic acid
Identification
- PhytoHub ID
- PHUB000292
- Name
- 2,6-Dihydroxybenzoic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 154.121
- Monoisotopic Mass
- 154.026608673
- Chemical Formula
- C7H6O4
- IUPAC Name
- 2,6-dihydroxybenzoic acid
- InChI Key
- AKEUNCKRJATALU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
- SMILES
OC(=O)C1=C(O)C=CC=C1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.49e+00 g/l
- LogS (ALOGPS)
- -1.31
- LogP (ALOGPS)
- 1.28
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 77.76
- Refractivity
- 37.275999999999996
- Polarizability
- 13.673414430971047
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.989155147862662
- pKa (strongest acidic)
- 1.5141995841754006
External Links
- ChEBI
- 68465
- ChEBI
- 131450
- PubChem
- 9338
- Chemistry Dashboard
- DTXSID1059785
- KNApSAcK
- C00032618
- MetaboLights
- MTBLC68465
- Phenol-Explorer
- 437
Taxonomy
- Family
- Polyphenols
- Class
- Phenolic acids
- Sub-class
- Hydroxybenzoic acids
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Strawberry | Fruit, Berries | Publications | Show |
Metabolism
No metabolism information available