Fumaric acid-¹³C4 - ≥98 atom%,≥98% , CAS No.201595-62-2

CAS: 201595-62-2 Cat. No.: F336547 Formula: ¹³C₄H₄O₄ Peso molecolare: 120.04

GRADE & PURITY ≥98 atom%,≥98%

Synonyms

2-(E)-Butenedioic Acid-13C4 | (E)-Butenedioic Acid-13C4 | Allomaleic Acid-13C4 | Bakeshure 451-13C4 | Bakeshure 470-13C4 | Boletic Acid-13C4 | FC 33-13C4 | Lichenic Acid-13C4 | NSC 2752-13C4 | Petrom-13C4 | trans-1,2-Ethylenedicarboxylic Acid-13C4 | trans

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-(E)-Butenedioic Acid-13C4 | (E)-Butenedioic Acid-13C4 | Allomaleic Acid-13C4 | Bakeshure 451-13C4 | Bakeshure 470-13C4 | Boletic Acid-13C4 | FC 33-13C4 | Lichenic Acid-13C4 | NSC 2752-13C4 | Petrom-13C4 | trans-1,2-Ethylenedicarboxylic Acid-13C4 | trans

Specifiche e purezza

≥98 atom%,≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom%,≥98%

Nomi e identificatori

• Pubchem Sid: 488202201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202201
• Sorrisi canonici: C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-(1,2,3,4-13C4)but-2-enedioic acid
• InChIKey: VZCYOOQTPOCHFL-BHBLSLFXSA-N
• INCHI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
• Isomeri SMILES: [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
• Peso molecolare: 120.04
• Reaxy-Rn: 8132074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132074&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: DMSO (Slightly), Methanol (Sparingly, Sonicated)
• Punto di fusione (°C): >290° C
• Peso molecolare: 120.043 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 120.024 Da
• Monoisotopic Mass: 120.024 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% the labelled isotope. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 201595-62-2, the molecular formula is C4H4O4, and the molecular weight is 120.04 g/mol. InChIKey VZCYOOQTPOCHFL-BHBLSLFXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.