ethyl trans-3-hydroxycyclobutanecarboxylate - ≥96% , CAS No.160351-88-2

CAS: 160351-88-2 Cat. No.: E174593 Formula: C₇H₁₂O₃ Peso molecolare: 144.17 Numero EC: 827-954-8

GRADE & PURITY ≥96%

Synonyms

A883218 | ALPHA-KETOISOVALERIC ACID; KETOVALINE | KTVUZBJHOAPDGC-UHFFFAOYSA-N | SCHEMBL1693069 | Cyclobutanecarboxylic acid, 3-hydroxy-, ethyl ester, trans- (9CI) | AMY34462 | Ethyl 3-hydroxycyclobutanecarboxylate | ethyl 3-hydroxy-cyclobutane-carboxylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A883218 | ALPHA-KETOISOVALERIC ACID; KETOVALINE | KTVUZBJHOAPDGC-UHFFFAOYSA-N | SCHEMBL1693069 | Cyclobutanecarboxylic acid, 3-hydroxy-, ethyl ester, trans- (9CI) | AMY34462 | Ethyl 3-hydroxycyclobutanecarboxylate | ethyl 3-hydroxy-cyclobutane-carboxylate

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 528770563
• Sorrisi canonici: CCOC(=O)C1CC(C1)O
• IUPAC Name: ethyl 3-hydroxycyclobutane-1-carboxylate
• InChIKey: KTVUZBJHOAPDGC-UHFFFAOYSA-N
• INCHI: 1S/C7H12O3/c1-2-10-7(9)5-3-6(8)4-5/h5-6,8H,2-4H2,1H3
• Isomeri SMILES: CCOC(=O)C1CC(C1)O
• Peso molecolare: 144.17
• Reaxy-Rn: 3117714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3117714&ln=

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: 144.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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