Poly(ethylene succinate) - UltraPureChrom™, for GC, Liquid Phase , CAS No.25569-53-3

CAS: 25569-53-3 Cat. No.: P111885

GRADE & PURITY UltraPureChrom™, for GC, Liquid Phase

Synonyms

DTXSID60948459 | SCHEMBL1218684 | Butanedioic acid--ethane-1,2-diol (1/1) | AKOS015894230 | FT-0696874 | VJVOPINBJQWMNY-UHFFFAOYSA-N | butanedioic acid;ethane-1,2-diol

Storage

Room temperature

Shipped In

Normal

Overview

Liquid Phase for GC

Specifications

Synonyms

DTXSID60948459 | SCHEMBL1218684 | Butanedioic acid--ethane-1, 2-diol (1/1) | AKOS015894230 | FT-0696874 | VJVOPINBJQWMNY-UHFFFAOYSA-N | butanedioic acid;ethane-1, 2-diol

Specifications & Purity

UltraPureChrom™, for GC, Liquid Phase

Storage

Room temperature

Shipped In

Normal

Grade

for GC, UltraPureChrom™

Names and Identifiers

• Pubchem Sid: 488183209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183209
• Canonical Smiles: C(CC(=O)O)C(=O)O.C(CO)O
• IUPAC Name: butanedioic acid;ethane-1,2-diol
• InChIKey: VJVOPINBJQWMNY-UHFFFAOYSA-N
• INCHI: 1S/C4H6O4.C2H6O2/c5-3(6)1-2-4(7)8;3-1-2-4/h1-2H2,(H,5,6)(H,7,8);3-4H,1-2H2
• Isomeric SMILES: C(CC(=O)O)C(=O)O.C(CO)O
• WGK Germany: 3
• Reaxy-Rn: 33262033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33262033&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Fatty acids and conjugates 1,2-diols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Chloroform
• Melt Point(°C): 69-72°C
• Molecular Weight: 180.160 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 98.600
• 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: 2

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