3-Methylglutaric Acid - 10mM in DMSO , CAS No.626-51-7

CAS: 626-51-7 Cat. No.: M425178 Formule: C₆H₁₀O₄ Poids moléculaire: 146.14 Beilstein Registry Number: 1759500 Numéro CE: 210-951-5

GRADE & PURITY 10mM in DMSO

Synonyms

.beta.-Methylglutaric acid | s3347 | beta-Methylglutaric acid | beta-methyl-Glutaric acid | UNII-3Q0P190C7B | Pentanedioic acid, 3-methyl- | bmse000575 | 3-Methylglutaric acid, purum, >=98.0% (GC) | EINECS 210-951-5 | FT-0616162 | AKOS005146191 | beta-Met

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

.beta.-Methylglutaric acid | s3347 | beta-Methylglutaric acid | beta-methyl-Glutaric acid | UNII-3Q0P190C7B | Pentanedioic acid, 3-methyl- | bmse000575 | 3-Methylglutaric acid, purum, >=98.0% (GC) | EINECS 210-951-5 | FT-0616162 | AKOS005146191 | beta-Met

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528759047
• Sourires canoniques: CC(CC(=O)O)CC(=O)O
• IUPAC Name: 3-methylpentanedioic acid
• InChIKey: XJMMNTGIMDZPMU-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
• Isomères SMILES: CC(CC(=O)O)CC(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 146.14
• Beilstein: 1759500
• Reaxy-Rn: 1759502
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759502&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe 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
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Dicarboxylic acid or derivatives - 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: Dicarboxylic acids

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

Propriétés chimiques et physiques

• Point de fusion (°C): 87 °C
• Poids moléculaire: 146.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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