3-hydroxy-2-methylpropanoic acid - ≥97% , CAS No.2068-83-9

CAS: 2068-83-9 Cat. No.: R343446 Peso molecular: 104.11 Número EC: 819-819-7 PubChem CID: 87

GRADE & PURITY ≥97%

Synonyms

3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | AB88450 | (+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID | DTXSID20862824 | 3-Hydroxyisobutyric acid | DBXBTMSZEOQQDU-UHFFFAOYSA-N | propanoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

rac 3-Hydroxyisobutyric Acid is a 3-Hydrosyisobutyrate dehydrogenase metabolite.

Specifications

Sinónimos

3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | AB88450 | (+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID | DTXSID20862824 | 3-Hydroxyisobutyric acid | DBXBTMSZEOQQDU-UHFFFAOYSA-N | propanoic aci

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504750347
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750347
• Sonrisas canónicas: CC(CO)C(=O)O
• IUPAC Name: 3-hydroxy-2-methylpropanoic acid
• InChIKey: DBXBTMSZEOQQDU-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
• Isómeros SMILES: CC(CO)C(=O)O
• PubChem CID: 87
• Peso molecular: 104.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: 3-hydroxy monocarboxylic acid

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

• Peso molecular: 104.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1