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2,3-Dihydroisoquinoline-1,4-dione - 97%, high purity , CAS No.31053-30-2

COA

Grade & Purity:

≥97%

Cas Number: 31053-30-2
Molecular Weight: 161.16
PubChem CID: 12508166

In stock

Item Number

D192656

Grouped product items
SKU	Size	Availability	Price	Qty
D192656-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
D192656-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90

Discover 2,3-Dihydroisoquinoline-1,4-dione by Aladdin Scientific in 97% for only $24.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2,3-dihydroisoquinoline-1,4-dione \| 31053-30-2 \| 2,3-Dihydro-1,4-isoquinolinedione \| 2,3-DIHYDRO-ISOQUINOLINE-1,4-DIONE \| 1,4-Isoquinolinedione, 2,3-dihydro- \| MFCD13179340 \| SCHEMBL4567595 \| SCHEMBL13395820 \| DTXSID90500781 \| AKOS024262209 \| DS-9068 \| SB36512 \| SY033123 \| 1,2,3,4
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass 1,4-isoquinolinediones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	1,4-isoquinolinediones
Intermediate Tree Nodes	Not available
Direct Parent	1,4-isoquinolinediones
Alternative Parents	Isoquinolones and derivatives Tetrahydroisoquinolines Aryl alkyl ketones Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,3-dihydroisoquinoline-1,4-dione - Isoquinolone - Tetrahydroisoquinoline - Aryl ketone - Aryl alkyl ketone - Benzenoid - Secondary carboxylic acid amide - Lactam - Ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-isoquinolinediones. These are isoquinoline derivatives carrying a C=O group at positions 1 and 4, respectively.
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-dihydroisoquinoline-1,4-dione
INCHI	InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12)
InChIKey	WRRHHSIPJQOVJM-UHFFFAOYSA-N
Smiles	C1C(=O)C2=CC=CC=C2C(=O)N1
Isomeric SMILES	C1C(=O)C2=CC=CC=C2C(=O)N1
Molecular Weight	161.16
Reaxy-Rn	472926
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472926&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	161.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.048 Da
Monoisotopic Mass	161.048 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225.000
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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