cis-Ethyl 4-hydroxycyclohexanecarboxylate - ≥95% , CAS No.75877-66-6

CAS: 75877-66-6 Cat. No.: C590101 Formula: C₉H₁₆O₃ Peso molecolare: 172.22 Numero EC: 187-677-7

GRADE & PURITY ≥95%

Synonyms

Not available;trans-Ethyl 4-hydroxycyclohexanecarboxylate | SCHEMBL241638 | EINECS 241-215-1 | Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans | DTXSID90169135 | ethyl-4-hydroxycyclohexanecarboxylate | Ethyl4-hydroxycyclohexanecarboxylate | Silane, cyc

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

Not available;trans-Ethyl 4-hydroxycyclohexanecarboxylate | SCHEMBL241638 | EINECS 241-215-1 | Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans | DTXSID90169135 | ethyl-4-hydroxycyclohexanecarboxylate | Ethyl4-hydroxycyclohexanecarboxylate | Silane, cyc

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508817109
• Sorrisi canonici: CCOC(=O)C1CCC(CC1)O
• IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate
• InChIKey: BZKQJSLASWRDNE-UHFFFAOYSA-N
• INCHI: 1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
• Isomeri SMILES: CCOC(=O)C1CCC(CC1)O
• CAS alternativo: 75877-66-6,17159-80-7,3618-04-0
• Peso molecolare: 172.22
• Reaxy-Rn: 1636885
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636885&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - 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 cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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: 172.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 172.11 Da
• Monoisotopic Mass: 172.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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