2,7-oxepanedion - ≥90% , CAS No.2035-75-8

CAS: 2035-75-8 Cat. No.: O588008 Formule: C₆H₈O₃ Poids moléculaire: 128.13 Numéro CE: 218-001-1

GRADE & PURITY ≥90%

Synonyms

2,7-oxepanedion | SCHEMBL320487 | EN300-41706 | SY033154 | 2,7-Oxepanedione, 9CI | F20518 | Adipic anhydride | DTXSID401316648 | adipic acid anhydride | FT-0651100 | BBL100131 | CHEBI:173481 | 3-propyloxetane-2,4-dione | Adipicanhydride | Oxepane-2,7-dion

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

2,7-oxepanedion | SCHEMBL320487 | EN300-41706 | SY033154 | 2,7-Oxepanedione, 9CI | F20518 | Adipic anhydride | DTXSID401316648 | adipic acid anhydride | FT-0651100 | BBL100131 | CHEBI:173481 | 3-propyloxetane-2,4-dione | Adipicanhydride | Oxepane-2,7-dion

Spécifications et pureté

≥90%

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

≥90%

Noms et identifiants

Pubchem Sid

508813372

Sourires canoniques

C1CCC(=O)OC(=O)C1

IUPAC Name

oxepane-2,7-dione

InChIKey

JPSKCQCQZUGWNM-UHFFFAOYSA-N

INCHI

1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2

Isomères SMILES

C1CCC(=O)OC(=O)C1

Poids moléculaire

128.13

Reaxy-Rn

2945

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2945&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lactones
• Alternative Parents: Oxepanes Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactone - Oxepane - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
• 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: 128.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.047 Da
• Monoisotopic Mass: 128.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 123.000
• 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