ethyl cis-3-hydroxy-1-methyl-cyclobutanecarboxylate - ≥97% , CAS No.1408074-72-5

CAS: 1408074-72-5 Cat. No.: E628960 Formula: C₈H₁₄O₃ Peso molecolare: 158.19 PubChem CID: 72207668

GRADE & PURITY ≥97%

Synonyms

AS-51772 | 1823058-98-5 | ethyl3-hydroxy-1-methyl-cyclobutanecarboxylate | Ethyl (1s,3r)-3-hydroxy-1-methylcyclobutane-1-carboxylate | PB38290 | SB20571 | SCHEMBL14127655 | SMR002529950 | (1r,3r)-ethyl 3-hydroxy-1-methylcyclobutanecarboxylate | ethyl rel-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AS-51772 | 1823058-98-5 | ethyl3-hydroxy-1-methyl-cyclobutanecarboxylate | Ethyl (1s,3r)-3-hydroxy-1-methylcyclobutane-1-carboxylate | PB38290 | SB20571 | SCHEMBL14127655 | SMR002529950 | (1r,3r)-ethyl 3-hydroxy-1-methylcyclobutanecarboxylate | ethyl rel-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C1(CC(C1)O)C

IUPAC Name

ethyl 3-hydroxy-1-methylcyclobutane-1-carboxylate

InChIKey

QBOGWOWEVMVLTQ-UHFFFAOYSA-N

INCHI

1S/C8H14O3/c1-3-11-7(10)8(2)4-6(9)5-8/h6,9H,3-5H2,1-2H3

Isomeri SMILES

CCOC(=O)C1(CC(C1)O)C

CAS alternativo

1408074-72-5

PubChem CID

72207668

Peso molecolare

158.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 158.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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

Domande frequenti

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 1408074-72-5, the molecular formula is C8H14O3, and the molecular weight is 158.19 g/mol. InChIKey QBOGWOWEVMVLTQ-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.