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

CAS: 57344-86-2 Cat. No.: P337741 分子式: C₁₂H₁₄O 分子量: 174.2 PubChem CID: 11116555

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504766032

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

11116555

分子量

174.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Heat sensitive
• 分子量: 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

よくある質問

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.