GRADE & PURITY ≥95%

Synonyms

2-Acetoxybenzoic anhydride | Benzoic acid, 2-(acetyloxy)-, anhydride | Acetylsalicylic anhydride | Pircan | Aspirin Impurity F | Aspirin anhydride | (2-acetyloxybenzoyl) 2-acetyloxybenzoate | Vigal | Contraflu | Salicylic anhydride, diacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Acetoxybenzoic anhydride | Benzoic acid, 2-(acetyloxy)-, anhydride | Acetylsalicylic anhydride | Pircan | Aspirin Impurity F | Aspirin anhydride | (2-acetyloxybenzoyl) 2-acetyloxybenzoate | Vigal | Contraflu | Salicylic anhydride, diacetate

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504752636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752636
• Sonrisas canónicas: CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C
• IUPAC Name: (2-acetyloxybenzoyl) 2-acetyloxybenzoate
• InChIKey: OAWXYINGQXLWOE-UHFFFAOYSA-N
• INCHI: 1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
• Isómeros SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C
• Peso molecular: 342.3
• Reaxy-Rn: 2015320
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2015320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Acylsalicylic acids and derivatives Phenol esters Benzyloxycarbonyls Phenoxy compounds Benzoyl derivatives Carboxylic acid anhydrides Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Acylsalicylic acid or derivatives - Phenol ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid anhydride - Carboxylic acid ester - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

• Peso molecular: 342.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 342.074 Da
• Monoisotopic Mass: 342.074 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 482.000
• 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