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resorcinol-o,o'-diacetic acid

COA

Cas Number: 102-39-6
Molecular Weight: 226.188
PubChem CID: 66884
PubChem SID: 504754102

In stock

Item Number

R165512

Grouped product items
SKU	Size	Availability	Price
R165512-1g	1g	3	$36.90
R165512-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
R165512-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$530.90

Basic Description

Synonyms	NSC-1855 \| (1,3-Phenylenedioxy)diacetic acid \| 30S88G4869 \| EINECS 203-027-8 \| Oprea1_092905 \| 1,3-(DICARBOXYMETHOXY)BENZENE \| Resorcinol Diacetic Acid \| RESORCINOL-O,O/'-DIACETIC ACID \| Oprea1_778572 \| UNII-30S88G4869 \| AKOS003233462 \| m-phenylenedioxydi
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxyacetic acid derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Ether - 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 phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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

Pubchem Sid	504754102
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754102
IUPAC Name	2-[3-(carboxymethoxy)phenoxy]acetic acid
INCHI	InChI=1S/C10H10O6/c11-9(12)5-15-7-2-1-3-8(4-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey	ZVMAGJJPTALGQB-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)OCC(=O)O)OCC(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)OCC(=O)O)OCC(=O)O
PubChem CID	66884
Molecular Weight	226.188

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F1804026	Certificate of Analysis	Jan 08, 2024	R165512

Chemical and Physical Properties

Molecular Weight	226.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	226.048 Da
Monoisotopic Mass	226.048 Da
Topological Polar Surface Area	93.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	228.000
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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