(S)-3-Phenylcyclohexanone - ≥98% , CAS No.57344-86-2

CAS: 57344-86-2 Cat. No.: P337741 Formule: C₁₂H₁₄O Poids moléculaire: 174.2 PubChem CID: 11116555

QUALITÉ & PURETÉ ≥98%

Synonyms

EX-A7802G | (S)-3-phenylcyclohexan-1-one | (3S)-3-PHENYLCYCLOHEXAN-1-ONE | CJAUDSQXFVZPTO-NSHDSACASA-N | (S)-3-Phenylcyclohexanone | (S)-3-PHENYL-CYCLOHEXANONE | AS-58532 | A869710 | MFCD08276411 | AKOS015840423 | DTXSID70455740 | PD163265 | SCHEMBL714527

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

EX-A7802G | (S)-3-phenylcyclohexan-1-one | (3S)-3-PHENYLCYCLOHEXAN-1-ONE | CJAUDSQXFVZPTO-NSHDSACASA-N | (S)-3-Phenylcyclohexanone | (S)-3-PHENYL-CYCLOHEXANONE | AS-58532 | A869710 | MFCD08276411 | AKOS015840423 | DTXSID70455740 | PD163265 | SCHEMBL714527

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504766032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766032

Sourires canoniques

C1CC(CC(=O)C1)C2=CC=CC=C2

IUPAC Name

(3S)-3-phenylcyclohexan-1-one

InChIKey

CJAUDSQXFVZPTO-NSHDSACASA-N

INCHI

1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-/m0/s1

Isomères SMILES

C1C[C@@H](CC(=O)C1)C2=CC=CC=C2

PubChem CID

11116555

Poids moléculaire

174.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

Propriétés chimiques et physiques

• Sensibilité: Heat sensitive
• Poids moléculaire: 174.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.104 Da
• Monoisotopic Mass: 174.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 57344-86-2, the molecular formula is C12H14O, and the molecular weight is 174.2 g/mol. InChIKey CJAUDSQXFVZPTO-NSHDSACASA-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.