3,5-Dihydroxy-4-methoxybenzoic acid - Analytical standard, ≥97% , CAS No.4319-02-2

CAS: 4319-02-2 Cat. No.: D694609 Molecular Weight: 184.15 PubChem CID: 78016
Out of stock
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
No options of this product are available.
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Why this grade

Analytical standard, ≥97% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
Analytical standard, ≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Purity
≥97%
Names and Identifiers
Canonical SmilesCOC1=C(C=C(C=C1O)C(=O)O)O
IUPAC Name3,5-dihydroxy-4-methoxybenzoic acid
InChIKeyUBXDWYFLYYJQFR-UHFFFAOYSA-N
INCHI1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
Isomeric SMILES COC1=C(C=C(C=C1O)C(=O)O)O
PubChem CID 78016
Molecular Weight 184.15

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Hydroxybenzoic acid derivatives
Direct ParentGallic acid and derivatives
Alternative Parents P-methoxybenzoic acids and derivatives  Methoxyphenols  Benzoic acids  Resorcinols  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Resorcinol - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TERT Tchem Telomerase reverse transcriptase (2428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityMoisture sensitive
Molecular Weight184.150 g/mol
XLogP31.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass184.037 Da
Monoisotopic Mass184.037 Da
Topological Polar Surface Area87.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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