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Phthalide-3-acetic acid - 95%, high purity , CAS No.4743-58-2

COA

Grade & Purity:

≥95%

Cas Number: 4743-58-2
Molecular Weight: 192.17
MDL number: MFCD00051729
PubChem CID: 589730
PubChem SID: 488190508

In stock

Item Number

P300273

Grouped product items
SKU	Size	Availability	Price
P300273-1g	1g	3	$9.90
P300273-5g	5g	7	$23.90
P300273-25g	25g	5	$79.90
P300273-100g	100g	4	$284.90

Discover Phthalide-3-acetic acid by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	CS-0253927 \| 2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetic acid \| 4KL \| SCHEMBL4899583 \| BENZENEPROPANOIC ACID, 2-CARBOXY-.BETA.-HYDROXY-, .GAMMA.-LACTONE \| UNII-DVW805XX2D \| 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid \| Phthalidineacetic acid \| Z5
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides Dicarboxylic acids and derivatives Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
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	488190508
IUPAC Name	2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
INCHI	InChI=1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKey	FJWKEFBYCZSVNZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(OC2=O)CC(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(OC2=O)CC(=O)O
PubChem CID	589730
Molecular Weight	192.17

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
H2211526	Certificate of Analysis	May 12, 2025	P300273
H2211525	Certificate of Analysis	May 12, 2025	P300273
G2227579	Certificate of Analysis	Aug 03, 2022	P300273
G2227671	Certificate of Analysis	Aug 03, 2022	P300273
G2227672	Certificate of Analysis	Aug 03, 2022	P300273
G2227580	Certificate of Analysis	Aug 03, 2022	P300273
I2419121	Certificate of Analysis	Aug 03, 2022	P300273

Chemical and Physical Properties

Boil Point(°C)	440
Melt Point(°C)	151-152
Molecular Weight	192.170 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	192.042 Da
Monoisotopic Mass	192.042 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	261.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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