2-(cyclopropoxy)acetic acid - ≥97% , CAS No.246869-07-8

CAS: 246869-07-8 Cat. No.: A638037 Summenformel: C₅H₈O₃ Molekulargewicht: 116.11 EG-Nummer: 829-730-5 PubChem CID: 55303669

QUALITÄT & REINHEIT ≥97%

Synonyms

2-Cyclopropoxyaceticacid | 2-cyclopropyloxyacetic acid | AT13750 | SY006720 | SCHEMBL9194978 | 2-Cyclopropoxyacetic acid | 2-(Cyclopropyloxy)acetic acid | DTXSID001307148 | PS-18971 | EN300-378373 | 2-(cyclopropoxy)acetic acid | AKOS006387705

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2-Cyclopropoxyaceticacid | 2-cyclopropyloxyacetic acid | AT13750 | SY006720 | SCHEMBL9194978 | 2-Cyclopropoxyacetic acid | 2-(Cyclopropyloxy)acetic acid | DTXSID001307148 | PS-18971 | EN300-378373 | 2-(cyclopropoxy)acetic acid | AKOS006387705

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CC1OCC(=O)O

IUPAC Name

2-cyclopropyloxyacetic acid

InChIKey

KMWUDQCOBHVOGJ-UHFFFAOYSA-N

INCHI

1S/C5H8O3/c6-5(7)3-8-4-1-2-4/h4H,1-3H2,(H,6,7)

Isomere SMILES

C1CC1OCC(=O)O

Alternative CAS-Nummer

246869-07-8

PubChem CID

55303669

Molekulargewicht

116.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 116.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 95.800
• 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