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4-(Methoxymethyl)-5-methylisoxazole-3-carboxylic acid - 97%, high purity , CAS No.934156-84-0

COA

Grade & Purity:

≥97%

Cas Number: 934156-84-0
Molecular Weight: 171.15
PubChem CID: 16490802

In stock

Item Number

M616255

Grouped product items
SKU	Size	Availability	Price	Qty
M616255-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
M616255-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$559.90

Basic Description

Synonyms	4-(methoxymethyl)-5-methylisoxazole-3-carboxylic acid \| 934156-84-0 \| 4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid \| 4-(METHOXYMETHYL)-5-METHYL-3-ISOXAZOLECARBOXYLIC ACID \| DTXSID40586171 \| BBL015853 \| MFCD06805582 \| STK292766 \| AKOS000314449 \| CCG-321644 \| P-CHL
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Isoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Isoxazoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoxazoles
Alternative Parents	Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Isoxazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
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	4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
INCHI	InChI=1S/C7H9NO4/c1-4-5(3-11-2)6(7(9)10)8-12-4/h3H2,1-2H3,(H,9,10)
InChIKey	CRBKTECADDKUPY-UHFFFAOYSA-N
Smiles	CC1=C(C(=NO1)C(=O)O)COC
Isomeric SMILES	CC1=C(C(=NO1)C(=O)O)COC
PubChem CID	16490802
Molecular Weight	171.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	171.150 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	171.053 Da
Monoisotopic Mass	171.053 Da
Topological Polar Surface Area	72.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173.000
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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