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1，2-Dihydroxy-3-nitroanthraquinone - ≥98%, high purity , CAS No.568-93-4

COA

Grade & Purity:

≥98%

Cas Number: 568-93-4
Molecular Weight: 285.21
PubChem CID: 3770390

In stock

Item Number

D768811

Grouped product items
SKU	Size	Availability	Price	Qty
D768811-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
D768811-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90

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 Benzenoids
  - Class Anthracenes
    - Subclass Anthraquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Anthraquinones
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxyanthraquinones
Alternative Parents	Nitronaphthalenes Nitroaromatic compounds Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Hydroxyanthraquinone - 2-nitronaphthalene - Nitroaromatic compound - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
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	1,2-dihydroxy-3-nitroanthracene-9,10-dione
INCHI	InChI=1S/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H
InChIKey	XZSUEVFAMOKROK-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)[N+](=O)[O-]
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)[N+](=O)[O-]
PubChem CID	3770390
Molecular Weight	285.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.210 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	285.027 Da
Monoisotopic Mass	285.027 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	486.000
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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