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(2S)-4-methoxy-2-methyl-4-oxo-butanoic acid - 97%, high purity , CAS No.111266-27-4

COA

Grade & Purity:

≥97%

Cas Number: 111266-27-4
Molecular Weight: 146.14
MDL number: MFCD19228194
PubChem CID: 11423665

In stock

Item Number

M626899

Grouped product items
SKU	Size	Availability	Price
M626899-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
M626899-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,401.90
M626899-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,801.90

Basic Description

Synonyms	AC-26763 \| DTXSID30465340 \| FD10315 \| PS-17820 \| (S)-4-Methoxy-2-methyl-4-oxobutanoicAcid \| (S)-4-Methoxy-2-methyl-4-oxobutanoic acid \| SCHEMBL2623478 \| A2204 \| AKOS016844358 \| MFCD19228194 \| (2S)-4-methoxy-2-methyl-4-oxobutanoic acid \| (2S)-4-methoxy-2-m
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates
      - Level5 Branched fatty acids
        Level6 Methyl-branched fatty acids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-branched fatty acid - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
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	(2S)-4-methoxy-2-methyl-4-oxobutanoic acid
INCHI	InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey	UVQYBUYGFBXQGO-BYPYZUCNSA-N
Smiles	CC(CC(=O)OC)C(=O)O
Isomeric SMILES	C[C@@H](CC(=O)OC)C(=O)O
Alternate CAS	111266-27-4
PubChem CID	11423665
Molecular Weight	146.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	146.140 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	146.058 Da
Monoisotopic Mass	146.058 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	141.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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