3,3-Diethoxy-Propionic Acid - ≥95% , CAS No.6191-97-5

CAS: 6191-97-5 Cat. No.: D304170 Formule: C₇H₁₄O₄ Poids moléculaire: 162.18 Numéro CE: 818-386-1

GRADE & PURITY ≥95%

Synonyms

GS-5677 | DTXSID00328918 | AKOS006292230 | SCHEMBL202165 | EN300-142658 | 3,3-diethoxypropanoic acid | 3,3-diethoxypropanoicacid | SY108752 | MFCD06208054 | AKTDHHFJFNIILG-UHFFFAOYSA-N | FT-0691956 | Z1198167137 | 3,3-diethoxypropionic acid | 3,3-dietho-x

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

GS-5677 | DTXSID00328918 | AKOS006292230 | SCHEMBL202165 | EN300-142658 | 3,3-diethoxypropanoic acid | 3,3-diethoxypropanoicacid | SY108752 | MFCD06208054 | AKTDHHFJFNIILG-UHFFFAOYSA-N | FT-0691956 | Z1198167137 | 3,3-diethoxypropionic acid | 3,3-dietho-x

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCOC(CC(=O)O)OCC
• IUPAC Name: 3,3-diethoxypropanoic acid
• InChIKey: AKTDHHFJFNIILG-UHFFFAOYSA-N
• INCHI: 1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
• Isomères SMILES: CCOC(CC(=O)O)OCC
• Poids moléculaire: 162.18
• Reaxy-Rn: 1705284
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705284&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Acetal - 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 carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• Poids moléculaire: 162.180 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.089 Da
• Monoisotopic Mass: 162.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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