6′-Methyl-2′-acetonaphthone - ≥98% , CAS No.24875-94-3

CAS: 24875-94-3 Cat. No.: M472361 Formula: CH₃C₁₀H₆COCH₃ Peso molecolare: 184.23

GRADE & PURITY ≥98%

Storage

Room temperature

Panoramica

Condensation of 6′-methyl-2′-acetonaphthone (6-methyl-2-acetonaphthone) with variousm- andp-substituted benzaldehydes under solvent free conditions to yieldE-2-propen-1-ones has been reported.

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC1=CC2=C(C=C1)C=C(C=C2)C(=O)C

IUPAC Name

1-(6-methylnaphthalen-2-yl)ethanone

InChIKey

SPAYGOAEIJHIDE-UHFFFAOYSA-N

INCHI

1S/C13H12O/c1-9-3-4-13-8-11(10(2)14)5-6-12(13)7-9/h3-8H,1-2H3

Isomeri SMILES

CC1=CC2=C(C=C1)C=C(C=C2)C(=O)C

WGK Germania

3

Peso molecolare

184.23

Reaxy-Rn

1941206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: 184.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221.000
• 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