4-(p-Tolyl)cyclohexanone - ≥98% , CAS No.40503-90-0

CAS: 40503-90-0 Cat. No.: P160410 Formula: C₁₃H₁₆O Peso molecolare: 188.27 Numero EC: 609-837-1 PubChem CID: 14549255

QUALITÀ & PUREZZA ≥98%

Synonyms

4-p-Tolyl cyclohexanone | T3418 | SCHEMBL3533675 | 4-(p-Tolyl)cyclohexan-1-one | MFCD14584461 | EN300-333387 | 4-(4-Methylphenyl)cyclohexan-1-one | DTXSID50561550 | AKOS015917451 | A873320 | SB66525 | 4-(p-Tolyl)cyclohexanone, >/=98% | AS-60595 | s10247 |

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

4-p-Tolyl cyclohexanone | T3418 | SCHEMBL3533675 | 4-(p-Tolyl)cyclohexan-1-one | MFCD14584461 | EN300-333387 | 4-(4-Methylphenyl)cyclohexan-1-one | DTXSID50561550 | AKOS015917451 | A873320 | SB66525 | 4-(p-Tolyl)cyclohexanone, >/=98% | AS-60595 | s10247 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC1=CC=C(C=C1)C2CCC(=O)CC2

IUPAC Name

4-(4-methylphenyl)cyclohexan-1-one

InChIKey

XDHMORMQXOUOHT-UHFFFAOYSA-N

INCHI

1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3

Isomeri SMILES

CC1=CC=C(C=C1)C2CCC(=O)CC2

PubChem CID

14549255

Peso molecolare

188.27

Reaxy-Rn

2259489

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - 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 toluenes. These are compounds containing a benzene ring which bears a methane 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

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 51 °C
• Peso molecolare: 188.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.12 Da
• Monoisotopic Mass: 188.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 191.000
• 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