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

CAS: 4351-78-4 Cat. No.: E633892 分子式: C₇H₁₄O₃ 分子量: 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

同義語

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-

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

C1C(CO1)(CCO)CCO

代替CAS番号

4351-78-4

PubChem CID

58547540

分子量

146.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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