(R)-3-fenilcicloesanone , CAS No.34993-51-6

CAS: 34993-51-6 Cat. No.: R337749 Formula: C₁₂H₁₄O Peso molecolare: 174.24 PubChem CID: 11041212

Synonyms

(3R)-3-Phenylcyclohexanone, AldrichCPR | A874807 | CJAUDSQXFVZPTO-LLVKDONJSA-N | EX-A7802H | J-019824 | AKOS016005611 | T72344 | P1499 | (R)-3-phenylcyclohexan-1-one | (R)-3-Phenylcyclohexanone | (R)-3-Phenyl-cyclohexanone | r-3-phenylcyclohexanone | (3R)

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Specifications

Sinonimi

(3R)-3-Phenylcyclohexanone, AldrichCPR | A874807 | CJAUDSQXFVZPTO-LLVKDONJSA-N | EX-A7802H | J-019824 | AKOS016005611 | T72344 | P1499 | (R)-3-phenylcyclohexan-1-one | (R)-3-Phenylcyclohexanone | (R)-3-Phenyl-cyclohexanone | r-3-phenylcyclohexanone | (3R)

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Nomi e identificatori

• Sorrisi canonici: C1CC(CC(=O)C1)C2=CC=CC=C2
• IUPAC Name: (3R)-3-phenylcyclohexan-1-one
• InChIKey: CJAUDSQXFVZPTO-LLVKDONJSA-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-/m1/s1
• Isomeri SMILES: C1C[C@H](CC(=O)C1)C2=CC=CC=C2
• PubChem CID: 11041212
• Peso molecolare: 174.24

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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