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2-(3,5-Dihydroxyphenyl)acetic acid - 95%, high purity , CAS No.4670-09-1

COA

Grade & Purity:

≥95%

Cas Number: 4670-09-1
Molecular Weight: 168.15
PubChem CID: 597768

In stock

Item Number

D193501

Grouped product items
SKU	Size	Availability	Price
D193501-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$272.90
D193501-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$652.90
D193501-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,272.90

Basic Description

Synonyms	3,5-DIHYDROXY BENZENEACETIC ACID \| DS-7058 \| 3,5-Dihdyroxyphenylacetic acid \| Benzeneacetic acid, 3,5-dihydroxy- \| FT-0645678 \| 2-(3,5-dihydroxyphenyl)aceticacid \| 2-(3,5-dihydroxyphenyl)acetic acid \| 3, 5-Dihydroxyphenylacetic acid \| IOVOJJDSFSXJQN-UHFFF
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(3,5-dihydroxyphenyl)acetic acid
INCHI	InChI=1S/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)
InChIKey	IOVOJJDSFSXJQN-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1O)O)CC(=O)O
Isomeric SMILES	C1=C(C=C(C=C1O)O)CC(=O)O
Molecular Weight	168.15
Reaxy-Rn	2691778
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691778&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.150 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.042 Da
Monoisotopic Mass	168.042 Da
Topological Polar Surface Area	77.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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