Cyclobutane-1,2-dicarboxylic anhydride - ≥97% , CAS No.4462-96-8

CAS: 4462-96-8 Cat. No.: O176508 Peso molecular: 126.11

GRADE & PURITY ≥97%

Synonyms

DTXSID30963250 | NSC119923 | NSC-119923 | AKOS005266524 | NMNZZIMBGSGRPN-UHFFFAOYSA-N | MFCD00799396 | FT-0635311 | STL554394 | 3-Oxabicyclo[3.2.0]heptane-2,4-dione pound>>Perhydrocyclobuta[c]furan-1,3-dione | 1,2-Cyclobutanedicarboxylic anhydride, cis-,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID30963250 | NSC119923 | NSC-119923 | AKOS005266524 | NMNZZIMBGSGRPN-UHFFFAOYSA-N | MFCD00799396 | FT-0635311 | STL554394 | 3-Oxabicyclo[3.2.0]heptane-2, 4-dione pound>>Perhydrocyclobuta[c]furan-1, 3-dione | 1, 2-Cyclobutanedicarboxylic anhydride, cis-,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488187992
• Sonrisas canónicas: C1CC2C1C(=O)OC2=O
• IUPAC Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
• InChIKey: NMNZZIMBGSGRPN-UHFFFAOYSA-N
• INCHI: 1S/C6H6O3/c7-5-3-1-2-4(3)6(8)9-5/h3-4H,1-2H2
• Isómeros SMILES: C1CC2C1C(=O)OC2=O
• Peso molecular: 126.11
• Reaxy-Rn: 118798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lactones
• Alternative Parents: Oxepanes Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Caprolactone - Oxepane - Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 126.110 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.032 Da
• Monoisotopic Mass: 126.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1