4-Acetyl-1-naphthol - ≥95% , CAS No.3669-52-1

CAS: 3669-52-1 Cat. No.: A697271 Summenformel: C₁₂H₁₀O₂ Molekulargewicht: 186.21 EG-Nummer: 851-958-9 PubChem CID: 300722

GRADE & PURITY ≥95%

Synonyms

1-(4-Hydroxynaphthalen-1-yl)ethanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

1-(4-Hydroxynaphthalen-1-yl)ethanone

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

• ALogP: 3

Namen und Kennungen

• Kanonisches Lächeln: CC(=O)C1=CC=C(C2=CC=CC=C21)O
• IUPAC Name: 1-(4-hydroxynaphthalen-1-yl)ethanone
• InChIKey: SAPGSAHOBOEJDV-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,14H,1H3
• Isomere SMILES: CC(=O)C1=CC=C(C2=CC=CC=C21)O
• PubChem CID: 300722
• Molekulargewicht: 186.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Acetophenones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 186.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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