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Spiro[cyclopropane-1，1'-isoindolin]-3'-one - ≥98%, high purity , CAS No.604799-98-6

COA

Grade & Purity:

≥98%

Cas Number: 604799-98-6
Molecular Weight: 159.18
MDL number: MFCD08234398
PubChem CID: 11051938

In stock

Item Number

S768643

Grouped product items
SKU	Size	Availability	Price
S768643-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,089.90
S768643-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,851.90
S768643-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,146.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Not available
Direct Parent	Isoindolones
Alternative Parents	Isoindoles Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindolone - Isoindole - Benzenoid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
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	spiro[2H-isoindole-3,1'-cyclopropane]-1-one
INCHI	InChI=1S/C10H9NO/c12-9-7-3-1-2-4-8(7)10(11-9)5-6-10/h1-4H,5-6H2,(H,11,12)
InChIKey	OCWBJZCKQBCSPB-UHFFFAOYSA-N
Smiles	C1CC12C3=CC=CC=C3C(=O)N2
Isomeric SMILES	C1CC12C3=CC=CC=C3C(=O)N2
PubChem CID	11051938
Molecular Weight	159.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	159.068 Da
Monoisotopic Mass	159.068 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232.000
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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