2-(((4-Vinylbenzyl)oxy)methyl)oxirane - ≥95%, stabilized with TBC , CAS No.113538-80-0

CAS: 113538-80-0 Cat. No.: O726349 분자식: C₁₂H₁₄O₂ 분자량: 190.24 PubChem CID: 11830219

GRADE & PURITY ≥95%, stabilized with TBC

Storage

Room temperature

Specifications

사양 및 순도

≥95%, stabilized with TBC

보관 조건

Room temperature

순수함

≥95%

제품 특성

ALogP

2

이름과 식별자

정식 스마일

C=CC1=CC=C(C=C1)COCC2CO2

IUPAC Name

2-[(4-ethenylphenyl)methoxymethyl]oxirane

InChIKey

ZADXFVHUPXKZBJ-UHFFFAOYSA-N

INCHI

1S/C12H14O2/c1-2-10-3-5-11(6-4-10)7-13-8-12-9-14-12/h2-6,12H,1,7-9H2

이성체 SMILES

C=CC1=CC=C(C=C1)COCC2CO2

PubChem CID

11830219

분자량

190.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Styrenes Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Styrene - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

화학 및 물리적 특성

• 분자량: 190.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 113538-80-0, the molecular formula is C12H14O2, and the molecular weight is 190.24 g/mol. InChIKey ZADXFVHUPXKZBJ-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.