ethyl 5-hydroxyoxane-2-carboxylate - ≥97% , CAS No.110407-58-4

CAS: 110407-58-4 Cat. No.: E626876 분자식: C₈H₁₄O₄ 분자량: 174.2 PubChem CID: 20194906

GRADE & PURITY ≥97%

Synonyms

Ethyl 5-hydroxy-tetrahydro-pyran-2-carboxylate | 110407-58-4 | ethyl 5-hydroxyoxane-2-carboxylate | ethyl 5-hydroxytetrahydro-2H-pyran-2-carboxylate | ethyl 5-hydroxytetrahydropyran-2-carboxylate | SCHEMBL10747668 | MFCD23106047 | PB37019 | PB38135 | PB38

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Ethyl 5-hydroxy-tetrahydro-pyran-2-carboxylate | 110407-58-4 | ethyl 5-hydroxyoxane-2-carboxylate | ethyl 5-hydroxytetrahydro-2H-pyran-2-carboxylate | ethyl 5-hydroxytetrahydropyran-2-carboxylate | SCHEMBL10747668 | MFCD23106047 | PB37019 | PB38135 | PB38

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: CCOC(=O)C1CCC(CO1)O
• IUPAC Name: ethyl 5-hydroxyoxane-2-carboxylate
• InChIKey: ZEJKVCZXCLPEPS-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-2-11-8(10)7-4-3-6(9)5-12-7/h6-7,9H,2-5H2,1H3
• 이성체 SMILES: CCOC(=O)C1CCC(CO1)O
• PubChem CID: 20194906
• 분자량: 174.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrans
• Alternative Parents: Oxanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Pyran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Alcohol - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
• 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: 174.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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 ≥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 110407-58-4, the molecular formula is C8H14O4, and the molecular weight is 174.2 g/mol. InChIKey ZEJKVCZXCLPEPS-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.