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Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate - ≥98%, high purity , CAS No.1421312-34-6

COA

Grade & Purity:

≥98%

Cas Number: 1421312-34-6
MDL number: MFCD30489347
PubChem CID: 71244895

In stock

Item Number

M768794

Grouped product items
SKU	Size	Availability	Price
M768794-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
M768794-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$225.90
M768794-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,048.90

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 Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	Isoquinolines and derivatives Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Methylpyridines Hydroxypyridines Vinylogous acids Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Diaryl ether - Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Methylpyridine - Hydroxypyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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	methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
INCHI	InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3
InChIKey	WJGPMRFWBJZJOQ-UHFFFAOYSA-N
Smiles	CC1=C2C=C(C=CC2=C(C(=N1)C(=O)OC)O)OC3=CC=CC=C3
Isomeric SMILES	CC1=C2C=C(C=CC2=C(C(=N1)C(=O)OC)O)OC3=CC=CC=C3
PubChem CID	71244895

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	309.300 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	309.1 Da
Monoisotopic Mass	309.1 Da
Topological Polar Surface Area	68.700 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	410.000
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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