mono-Methyl hydrogen succinate - ≥98% , CAS No.3878-55-5

CAS: 3878-55-5 Cat. No.: M102991 Formula: CH₃OCOCH₂CH₂COOH Peso molecolare: 132.11 Beilstein Registry Number: 1722669 Numero EC: 223-408-2

GRADE & PURITY ≥98%

Synonyms

3-methoxycarbonylpropionic acid | Benzene, 2-iodo-1,4-dimethyl- | A855318 | BDBM82193 | MFCD00002788 | JDRMYOQETPMYQX-UHFFFAOYSA- | 3-(methoxycarbonyl)propanoic acid | FT-0618900 | InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7) | NSC-113954 | AI3-03

Storage

Room temperature

Shipped In

Normal

Panoramica

An ester for proteomics research.

Specifications

Sinonimi

3-methoxycarbonylpropionic acid | Benzene, 2-iodo-1,4-dimethyl- | A855318 | BDBM82193 | MFCD00002788 | JDRMYOQETPMYQX-UHFFFAOYSA- | 3-(methoxycarbonyl)propanoic acid | FT-0618900 | InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7) | NSC-113954 | AI3-03

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185407

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185407

Sorrisi canonici

COC(=O)CCC(=O)O

IUPAC Name

4-methoxy-4-oxobutanoic acid

InChIKey

JDRMYOQETPMYQX-UHFFFAOYSA-N

INCHI

1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)

Isomeri SMILES

COC(=O)CCC(=O)O

WGK Germania

3

Peso molecolare

132.11

Beilstein

1722669

Reaxy-Rn

1722669

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl 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
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: dicarboxylic acid monoester

Data sources

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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Punto di ebollizione (°C): 151°C/20mmHg
• Punto di fusione (°C): 54-57°C
• Peso molecolare: 132.110 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 132.042 Da
• Monoisotopic Mass: 132.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3878-55-5, the molecular formula is C5H8O4, and the molecular weight is 132.11 g/mol. InChIKey JDRMYOQETPMYQX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.