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7-Aminoisobenzofuran-1(3H)-one - ≥95%, high purity , CAS No.3883-64-5

COA

Grade & Purity:

≥95%

Cas Number: 3883-64-5
Molecular Weight: 149.15
PubChem CID: 10909726

In stock

Item Number

A725208

Grouped product items
SKU	Size	Availability	Price	Qty
A725208-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,140.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isocoumarans
    - Subclass Isobenzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isocoumarans
Subclass	Isobenzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Phthalides
Alternative Parents	Benzenoids Vinylogous amides Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalide - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
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	7-amino-3H-2-benzofuran-1-one
INCHI	InChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
InChIKey	ZOKRDQGDSFSYSE-UHFFFAOYSA-N
Smiles	C1C2=C(C(=CC=C2)N)C(=O)O1
Isomeric SMILES	C1C2=C(C(=CC=C2)N)C(=O)O1
PubChem CID	10909726
Molecular Weight	149.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	149.150 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	149.048 Da
Monoisotopic Mass	149.048 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181.000
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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7-Aminoisobenzofuran-1(3H)-one - ≥95%, high purity , CAS No.3883-64-5

Basic Description