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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxybenzoic acids

Spectra

No spectra information available

Food Sources

NameGroup
StrawberryFruit, Berries PublicationsShow

Metabolism

No metabolism information available

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