3-ethynyloxetane - ≥97% , CAS No.1290541-38-6

CAS: 1290541-38-6 Cat. No.: E628127 Formula: C₅H₆O Peso molecolare: 82.1 Numero EC: 962-007-3 PubChem CID: 130114929

GRADE & PURITY ≥97%

Synonyms

3-ethynyloxetane | 1290541-38-6 | MFCD26516293 | AKOS037645064 | SB22561 | AS-56745 | SY234079 | EN300-787680

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-ethynyloxetane | 1290541-38-6 | MFCD26516293 | AKOS037645064 | SB22561 | AS-56745 | SY234079 | EN300-787680

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C#CC1COC1

IUPAC Name

3-ethynyloxetane

InChIKey

XUMRITXCAKXWFU-UHFFFAOYSA-N

INCHI

1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2

PubChem CID

130114929

Peso molecolare

82.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Acetylide - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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

• Peso molecolare: 82.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.0419 Da
• Monoisotopic Mass: 82.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 83.400
• 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