Ethylene glycol diformate - ≥75% , CAS No.629-15-2

CAS: 629-15-2 Cat. No.: E693502 분자식: C₄H₆O₄ 분자량: 118.09 EC 번호: 211-077-7 PubChem CID: 12376

GRADE & PURITY ≥75%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥75%

보관 조건

Room temperature

배송

Normal

순수함

≥75%

이름과 식별자

Pubchem Sid

528769331

정식 스마일

C(COC=O)OC=O

IUPAC Name

2-formyloxyethyl formate

InChIKey

IKCQWKJZLSDDSS-UHFFFAOYSA-N

INCHI

1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2

이성체 SMILES

C(COC=O)OC=O

PubChem CID

12376

분자량

118.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 118.090 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 60.400
• 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: 1