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8-Nitro-4-chromanone - ≥97%, high purity , CAS No.90322-49-9

COA

Grade & Purity:

≥97%

Cas Number: 90322-49-9
Molecular Weight: 193.1562
MDL number: MFCD09744048
PubChem CID: 18679700

In stock

Item Number

N770605

Grouped product items
SKU	Size	Availability	Price
N770605-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
N770605-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
N770605-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,496.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Nitroaromatic compounds Aryl alkyl ketones Alkyl aryl ethers Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organopnictogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-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

INCHI	InChI=1S/C9H7NO4/c11-8-4-5-14-9-6(8)2-1-3-7(9)10(12)13/h1-3H,4-5H2
InChIKey	MXMKEUBEHSMVOG-UHFFFAOYSA-N
Smiles	C1COC2=C(C1=O)C=CC=C2[N+](=O)[O-]
Isomeric SMILES	C1COC2=C(C1=O)C=CC=C2[N+](=O)[O-]
Molecular Weight	193.1562

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	193.038 Da
Monoisotopic Mass	193.038 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	260.000
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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