2-[3-(2-hydroxyethyl)oxetan-3-yl]ethanol - ≥97% , CAS No.4351-78-4

CAS: 4351-78-4 Cat. No.: E633892 Summenformel: C₇H₁₄O₃ Molekulargewicht: 146.18 PubChem CID: 58547540

GRADE & PURITY ≥97%

Synonyms

2,2 inverted exclamation mark -(Oxetane-3,3-diyl)diethanol | MFCD16652330 | 3,3-Oxetanediethanol | D74815 | KPHFJQUSEFYKKK-UHFFFAOYSA-N | SCHEMBL2593634 | 2-[3-(2-hydroxyethyl)oxetan-3-yl]ethan-1-ol | 2-[3-(2-HYDROXY-ETHYL)-OXETAN-3-YL]-ETHANOL | 2-[3-(2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,2 inverted exclamation mark -(Oxetane-3,3-diyl)diethanol | MFCD16652330 | 3,3-Oxetanediethanol | D74815 | KPHFJQUSEFYKKK-UHFFFAOYSA-N | SCHEMBL2593634 | 2-[3-(2-hydroxyethyl)oxetan-3-yl]ethan-1-ol | 2-[3-(2-HYDROXY-ETHYL)-OXETAN-3-YL]-ETHANOL | 2-[3-(2-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1C(CO1)(CCO)CCO
• IUPAC Name: 2-[3-(2-hydroxyethyl)oxetan-3-yl]ethanol
• InChIKey: KPHFJQUSEFYKKK-UHFFFAOYSA-N
• INCHI: 1S/C7H14O3/c8-3-1-7(2-4-9)5-10-6-7/h8-9H,1-6H2
• Isomere SMILES: C1C(CO1)(CCO)CCO
• Alternative CAS-Nummer: 4351-78-4
• PubChem CID: 58547540
• Molekulargewicht: 146.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 146.180 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.000
• 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