Nadic anhydrous - ≥97% , CAS No.826-62-0

CAS: 826-62-0 Cat. No.: N491849 分子式: C₉H₈O₃ 分子量: 164.16 Beilstein Registry Number: 150228 EC番号: 212-557-9

GRADE & PURITY ≥97%

Synonyms

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- | cis-5-Norbornene-endo-2,3-dicarboxylic anhydride | Nadic Anhydride (NA) | NCGC00254212-01 | 2-Norbornene-5,6-dicarboxylic anhydride | J-501160 | endo,cis-5

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

 It does not absorb water, soluble in benzene, toluene, acetone, chloroform, etc., and has deliquescence.

Specifications

同義語

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- | cis-5-Norbornene-endo-2,3-dicarboxylic anhydride | Nadic Anhydride (NA) | NCGC00254212-01 | 2-Norbornene-5,6-dicarboxylic anhydride | J-501160 | endo,cis-5

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488181816

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181816

カノニカル・スマイル

C1C2C=CC1C3C2C(=O)OC3=O

IUPAC Name

4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

InChIKey

KNDQHSIWLOJIGP-UHFFFAOYSA-N

INCHI

1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2

異性体SMILES

C1C2C=CC1C3C2C(=O)OC3=O

WGKドイツ

3

RTECS

DT5600000

分子量

164.16

Beilstein

150228

Reaxy-Rn

150228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150228&ln=

Taxonomic Classification

Taxonomy Tree

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

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

化学的性質と物理的性質

• 感度: Hygroscopic.
• 融点（°C）: 158-165°C
• 分子量: 164.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1