Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate - ≥95%(GC) , CAS No.1829-60-3

CAS: 1829-60-3 Cat. No.: D154220 Peso molecular: 210.19

GRADE & PURITY ≥95%(GC)

Synonyms

7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic Acid Dimethyl Ester | Dimethyl 3,6-Epoxycyclohexa-1,4-diene-1,2-dicarboxylate | 3,6-Epoxycyclohexa-1,4-diene-1,2-dicarboxylic Acid Dimethyl Ester

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

7-Oxabicyclo[2.2.1]hepta-2, 5-diene-2, 3-dicarboxylic Acid Dimethyl Ester | Dimethyl 3, 6-Epoxycyclohexa-1, 4-diene-1, 2-dicarboxylate | 3, 6-Epoxycyclohexa-1, 4-diene-1, 2-dicarboxylic Acid Dimethyl Ester

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504767004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767004
• Sonrisas canónicas: COC(=O)C1=C(C2C=CC1O2)C(=O)OC
• IUPAC Name: dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
• InChIKey: FQVSHUVBNGSEJO-UHFFFAOYSA-N
• INCHI: 1S/C10H10O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-6H,1-2H3
• Isómeros SMILES: COC(=O)C1=C(C2C=CC1O2)C(=O)OC
• Peso molecular: 210.19
• Reaxy-Rn: 227680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=227680&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Methyl esters Enoate esters Dihydrofurans Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Dihydrofuran - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Dialkyl ether - Ether - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°C): 133 °C
• Punto de ebullición (°C): 120°C/0.5mmHg(lit.)
• Peso molecular: 210.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.053 Da
• Monoisotopic Mass: 210.053 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 345.000
• 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