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2-(3-Methoxy-4-nitrophenyl)-4H-chromen-4-one - ≥95%, high purity , CAS No.145370-39-4

COA

Grade & Purity:

≥95%

Cas Number: 145370-39-4
Molecular Weight: 297.26
PubChem CID: 10017512

In stock

Item Number

H710476

Grouped product items
SKU	Size	Availability	Price
H710476-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$896.90
H710476-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,494.90
H710476-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,973.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass O-methylated flavonoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	O-methylated flavonoids
Intermediate Tree Nodes	Not available
Direct Parent	3'-O-methylated flavonoids
Alternative Parents	Flavones Chromones Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3p-methoxyflavonoid-skeleton - Flavone - Nitrophenyl ether - Chromone - 1-benzopyran - Benzopyran - Nitrobenzene - Methoxyaniline - Phenoxy compound - Phenol ether - Nitroaromatic compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Ether - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.
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-methoxy-4-nitrophenyl)chromen-4-one
INCHI	InChI=1S/C16H11NO5/c1-21-16-8-10(6-7-12(16)17(19)20)15-9-13(18)11-4-2-3-5-14(11)22-15/h2-9H,1H3
InChIKey	PXYZRNAKLZWNCF-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2)[N+](=O)[O-]
Isomeric SMILES	COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2)[N+](=O)[O-]
PubChem CID	10017512
Molecular Weight	297.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	297.260 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	297.064 Da
Monoisotopic Mass	297.064 Da
Topological Polar Surface Area	81.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	483.000
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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2-(3-Methoxy-4-nitrophenyl)-4H-chromen-4-one - ≥95%, high purity , CAS No.145370-39-4

Basic Description