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

CAS: 3669-52-1 Cat. No.: A697271 Formule: C₁₂H₁₀O₂ Poids moléculaire: 186.21 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Propriétés du produit

• ALogP: 3

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CC(=O)C1=CC=C(C2=CC=CC=C21)O
• PubChem CID: 300722
• Poids moléculaire: 186.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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