2-(2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethoxy)acetic acid - ≥98% , CAS No.944561-46-0

CAS: 944561-46-0 Cat. No.: P590814 Molecular Weight: 202.20 EC Number: 850-301-3

GRADE & PURITY ≥98%

Synonyms

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetic acid | MFCD30469071 | TQR1087 | 2-[2-[2-(2-Propyn-1-yloxy)ethoxy]ethoxy]acetic Acid | Acetic acid, 2-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]- | 2-(2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethoxy)acetic acid | EN300-7462425 |

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetic acid | MFCD30469071 | TQR1087 | 2-[2-[2-(2-Propyn-1-yloxy)ethoxy]ethoxy]acetic Acid | Acetic acid, 2-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]- | 2-(2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethoxy)acetic acid | EN300-7462425 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C#CCOCCOCCOCC(=O)O
• IUPAC Name: 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetic acid
• InChIKey: FWONAGPFSKACQC-UHFFFAOYSA-N
• INCHI: 1S/C9H14O5/c1-2-3-12-4-5-13-6-7-14-8-9(10)11/h1H,3-8H2,(H,10,11)
• Isomeric SMILES: C#CCOCCOCCOCC(=O)O
• Molecular Weight: 202.20

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• Molecular Weight: 202.200 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 202.084 Da
• Monoisotopic Mass: 202.084 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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