Dodecanedioic Acid Monomethyl Ester - ≥95% , CAS No.3903-40-0

CAS: 3903-40-0 Cat. No.: D350526 Peso molecular: 244.331 Número EC: 675-951-3

GRADE & PURITY ≥95%

Synonyms

REGGDLIBDASKGE-UHFFFAOYSA-N | FT-0667763 | methyl hydrogen dodecanedioate | MFCD00053323 | SCHEMBL2341702 | EST12/13 | methyl hydrogen dodecane-1,12-dioate | 11-(Methoxycarbonyl)undecanoic acid | 11MeOCO undec acid | Methyl 11-Carboxyundecanoate | NSC2900

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

REGGDLIBDASKGE-UHFFFAOYSA-N | FT-0667763 | methyl hydrogen dodecanedioate | MFCD00053323 | SCHEMBL2341702 | EST12/13 | methyl hydrogen dodecane-1, 12-dioate | 11-(Methoxycarbonyl)undecanoic acid | 11MeOCO undec acid | Methyl 11-Carboxyundecanoate | NSC2900

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504757999
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757999
• Sonrisas canónicas: COC(=O)CCCCCCCCCCC(=O)O
• IUPAC Name: 12-methoxy-12-oxododecanoic acid
• InChIKey: REGGDLIBDASKGE-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
• Isómeros SMILES: COC(=O)CCCCCCCCCCC(=O)O
• Peso molecular: 244.331
• Reaxy-Rn: 1786406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain 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: Medium-chain 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
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Punto de fusión (°C): 48-50° C
• Peso molecular: 244.330 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 213.000
• 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