Home Other Building Blocks 2,3,4-Trihydroxybenzoic acid hydrate

2,3,4-Trihydroxybenzoic acid hydrate

CAS No.:
610-02-6
Catalog Number:
AG003FEA
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$100
- +
Product Description
Catalog Number:
AG003FEA
Chemical Name:
2,3,4-Trihydroxybenzoic acid hydrate
CAS Number:
610-02-6
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD00002447
IUPAC Name:
2,3,4-trihydroxybenzoic acid
InChI:
InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChI Key:
BRRSNXCXLSVPFC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1O)O)O
EC Number:
210-205-9
UNII:
AD1ID2JF5O
NSC Number:
27436
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
2,3,4-Trihy-droxy-benzoic acid 0.25-hydrate. Acta crystallographica. Section E, Structure reports online 20120301
Molecular cloning and characterization of a novel tomato xylosyltransferase specific for gentisic acid. Journal of experimental botany 20101001
[Phenol constituents of Pachysandra terminalis and their antioxidant activity]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100701
Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison. International journal of molecular sciences 20100101
Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. Journal of hazardous materials 20090615
[Effect of trihydroxybenzoic acid dimmer on induction of apoptosis of HL-60 cells]. Yao xue xue bao = Acta pharmaceutica Sinica 20090101
Total phenolics, phenolic acids, isoflavones, and anthocyanins and antioxidant properties of yellow and black soybeans as affected by thermal processing. Journal of agricultural and food chemistry 20080827
Pyrogallol and its analogs can antagonize bacterial quorum sensing in Vibrio harveyi. Bioorganic & medicinal chemistry letters 20080301
Influence of organic ligands on the reduction of polyhalogenated alkanes by iron(II). Environmental science & technology 20071001
Rational design of novel, potent small molecule pan-selectin antagonists. Journal of medicinal chemistry 20070322
A photochemical entry to depsides: synthesis of gustastatin. Organic letters 20050217
Sensitization of nanostructured TiO2 by electrostatic coupling of ionic dyes to ionic absorbates. Langmuir : the ACS journal of surfaces and colloids 20040608
Diphenol activation of the monophenolase and diphenolase activities of field bean (Dolichos lablab) polyphenol oxidase. Journal of agricultural and food chemistry 20020313
Catalytic spectrophotometric determination of vanadium in seawaters based on the bromate oxidative coupling reaction of metol and 2,3,4-trihydroxybenzoic acid. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20010601
Properties