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methyl 5-methoxypyrimidine-2-carboxylate - 97%, high purity , CAS No.1415800-40-6

COA

Grade & Purity:

≥97%

Cas Number: 1415800-40-6
Molecular Weight: 168.15
PubChem CID: 77078490

In stock

Item Number

M628999

Grouped product items
SKU	Size	Availability	Price
M628999-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$106.90
M628999-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
M628999-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$804.90

Basic Description

Synonyms	methyl 5-methoxypyrimidine-2-carboxylate \| 1415800-40-6 \| methyl5-methoxypyrimidine-2-carboxylate \| SCHEMBL15264511 \| MFCD22683287 \| SB12716 \| BP-21089 \| BS-42843 \| CS-0184791 \| F52806 \| A857792
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Alkyl aryl ethers Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-2-carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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 5-methoxypyrimidine-2-carboxylate
INCHI	InChI=1S/C7H8N2O3/c1-11-5-3-8-6(9-4-5)7(10)12-2/h3-4H,1-2H3
InChIKey	IXSNCJLZKACDOD-UHFFFAOYSA-N
Smiles	COC1=CN=C(N=C1)C(=O)OC
Isomeric SMILES	COC1=CN=C(N=C1)C(=O)OC
PubChem CID	77078490
Molecular Weight	168.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.150 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	168.053 Da
Monoisotopic Mass	168.053 Da
Topological Polar Surface Area	61.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155.000
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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