Home Other Building Blocks 3,4-Dihydroxy-5-methoxybenzoic acid

3,4-Dihydroxy-5-methoxybenzoic acid

CAS No.:
3934-84-7
Catalog Number:
AG0037WD
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0037WD
Chemical Name:
3,4-Dihydroxy-5-methoxybenzoic acid
CAS Number:
3934-84-7
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD00016518
IUPAC Name:
3,4-dihydroxy-5-methoxybenzoic acid
InChI:
InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)
InChI Key:
KWCCUYSXAYTNKA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)O)C(=O)O
EC Number:
223-512-8
UNII:
8JA4OZ7166
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Isolation of methyl syringate as a specific aflatoxin production inhibitor from the essential oil of Betula alba and aflatoxin production inhibitory activities of its related compounds. International journal of food microbiology 20120215
Methyl-3-O-methyl gallate and gallic acid from the leaves of Peltiphyllum peltatum: isolation and comparative antioxidant, prooxidant, and cytotoxic effects in neuronal cells. Journal of medicinal food 20111101
Complete genome sequence of 'Enterobacter lignolyticus' SCF1. Standards in genomic sciences 20111015
Gut metabolites of anthocyanins, gallic acid, 3-O-methylgallic acid, and 2,4,6-trihydroxybenzaldehyde, inhibit cell proliferation of Caco-2 cells. Journal of agricultural and food chemistry 20100512
Comparative genome analysis provides insights into the evolution and adaptation of Pseudomonas syringae pv. aesculi on Aesculus hippocastanum. PloS one 20100101
Anti-ischemic activity and endothelium-dependent vasorelaxant effect of hydrolysable tannins from the leaves of Rhus coriaria (Sumac) in isolated rabbit heart and thoracic aorta. Planta medica 20091101
Synthesis of (-)-epicatechin 3-(3-O-methylgallate) and (+)-catechin 3-(3-O-methylgallate), and their anti-inflammatory activity. Chemistry & biodiversity 20090401
Identification of Cabernet Sauvignon anthocyanin gut microflora metabolites. Journal of agricultural and food chemistry 20081008
Degradation of 3-O-methylgallate in Sphingomonas paucimobilis SYK-6 by pathways involving protocatechuate 4,5-dioxygenase. FEMS microbiology letters 20070901
Biotransformation of gallic acid by Beauveria sulfurescens ATCC 7159. Applied microbiology and biotechnology 20070301
Genetic and biochemical investigations on bacterial catabolic pathways for lignin-derived aromatic compounds. Bioscience, biotechnology, and biochemistry 20070101
Characterization of the 3-O-methylgallate dioxygenase gene and evidence of multiple 3-O-methylgallate catabolic pathways in Sphingomonas paucimobilis SYK-6. Journal of bacteriology 20040801
Antioxidant activity of phenolic and related compounds: a density functional theory study on the O-H bond dissociation enthalpy. Redox report : communications in free radical research 20040101
[Studies on chemical constituents in fruits of Tibetan medicine Phyllanthus emblica]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20031001
Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase. Molecular pharmacology 20010201
Properties