Home Other Building Blocks 2,4,6-Trihydroxybenzoic acid

2,4,6-Trihydroxybenzoic acid

CAS No.:
83-30-7
Catalog Number:
AG003FN7
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$100
- +
100g
95%
In Stock USA
United States
$275
- +
500g
95%
In Stock USA
United States
$825
- +
Product Description
Catalog Number:
AG003FN7
Chemical Name:
2,4,6-Trihydroxybenzoic acid
CAS Number:
83-30-7
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD00002453
IUPAC Name:
2,4,6-trihydroxybenzoic acid
InChI:
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
InChI Key:
IBHWREHFNDMRPR-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)C(=O)O
EC Number:
201-467-5
UNII:
3NC0UQ5EMR
NSC Number:
36720
Properties
Complexity:
169  
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:
1.8  
Literature
Title Journal
Purification and characterization of polyphenol oxidase from cauliflower (Brassica oleracea L.). Journal of agricultural and food chemistry 20120411
Intestinal transit and systemic metabolism of apple polyphenols. European journal of nutrition 20111001
Molecular cloning and characterization of a novel tomato xylosyltransferase specific for gentisic acid. Journal of experimental botany 20101001
The phenolic acids from bacterial degradation of the mangiferin aglycone are quantified in the feces of pigs after oral ingestion of an extract of Cyclopia genistoides (honeybush tea). Nutrition research (New York, N.Y.) 20100501
Spectral alteration and degradation of cyanidin-3-glucoside exposed to pulsed electric field. Journal of agricultural and food chemistry 20100324
Enhanced catalytic activity of gold nanoparticles doped in a mesoporous organic gel based on polymeric phloroglucinol carboxylic acid-formaldehyde. ACS applied materials & interfaces 20090901
Melaminium 2,4,6-trihydroxy-benzoate dihydrate. Acta crystallographica. Section E, Structure reports online 20090901
Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. Journal of hazardous materials 20090615
Transcriptional analysis of the queD gene coding for quercetinase of Streptomyces sp. FLA. FEMS microbiology letters 20081001
Acute toxicity of benzoic acids to the crustacean Daphnia magna. Chemosphere 20050401
Degradation products of cyanidin glycosides from tart cherries and their bioactivities. Journal of agricultural and food chemistry 20011001
[Studies on chemical constitutents from Penthorum chinense Pursh]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20010401
Effects of mono-, di- and tri-hydroxybenzoic acids on the nitrosation of propranolol: structure-activity relationship. Mutation research 20010125
Properties