3-ethenyloxetan-3-ol - ≥97% , CAS No.1207175-07-2

CAS: 1207175-07-2 Cat. No.: E172556 Summenformel: C₅H₈O₂ Molekulargewicht: 100.117 EG-Nummer: 851-823-4

GRADE & PURITY ≥97%

Synonyms

1207175-07-2 | SY098429 | 3-ethenyloxetan-3-ol | 3-Vinyloxetan-3-ol | Vinyloxetan-3-ol | SCHEMBL16873119 | MFCD14586454 | PB39876 | AKOS006332687 | DTXSID60703904 | A892109 | AS-38986 | EN300-316574

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1207175-07-2 | SY098429 | 3-ethenyloxetan-3-ol | 3-Vinyloxetan-3-ol | Vinyloxetan-3-ol | SCHEMBL16873119 | MFCD14586454 | PB39876 | AKOS006332687 | DTXSID60703904 | A892109 | AS-38986 | EN300-316574

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C=CC1(COC1)O

IUPAC Name

3-ethenyloxetan-3-ol

InChIKey

IRTNICKAXISCBY-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2

Isomere SMILES

C=CC1(COC1)O

Molekulargewicht

100.117

Reaxy-Rn

28288568

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28288568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Oxetanes Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tertiary alcohol - Oxetane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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: 100.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.100
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1207175-07-2, the molecular formula is C5H8O2, and the molecular weight is 100.117 g/mol. InChIKey IRTNICKAXISCBY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.