2,2-Dimethyl-3-hydroxypropionic Acid - ≥98%(GC)(T) , CAS No.4835-90-9

CAS: 4835-90-9 Cat. No.: H138895 Formule: C₅H₁₀O₃ Poids moléculaire: 118.13 Numéro CE: 225-419-8

GRADE & PURITY ≥98%(GC)(T)

Synonyms

5-MethoxybenziMidazole--d3 | 3-Hydroxy-2,2-dimethylpropanoicacid | MFCD00059953 | SCHEMBL38932 | .ALPHA.,.ALPHA.-DIMETHYL-.BETA.-HYDROXYPROPIONIC ACID | 3-Phenyl-2-pyrazolin-5-one | AC7895 | 2,2-dimethyl-3-hydroxy propanoic acid | EINECS 225-419-8 | Z9977

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5-MethoxybenziMidazole--d3 | 3-Hydroxy-2,2-dimethylpropanoicacid | MFCD00059953 | SCHEMBL38932 | .ALPHA.,.ALPHA.-DIMETHYL-.BETA.-HYDROXYPROPIONIC ACID | 3-Phenyl-2-pyrazolin-5-one | AC7895 | 2,2-dimethyl-3-hydroxy propanoic acid | EINECS 225-419-8 | Z9977

Spécifications et pureté

≥98%(GC)(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)(T)

Noms et identifiants

• Pubchem Sid: 488185593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185593
• Sourires canoniques: CC(C)(CO)C(=O)O
• IUPAC Name: 3-hydroxy-2,2-dimethylpropanoic acid
• InChIKey: RDFQSFOGKVZWKF-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)
• Isomères SMILES: CC(C)(CO)C(=O)O
• Poids moléculaire: 118.13
• Reaxy-Rn: 1747025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747025&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water and methanol
• Point de fusion (°C): 126 °C
• Poids moléculaire: 118.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 95.800
• 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