7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one - ≥98% , CAS No.22009-38-7

CAS: 22009-38-7 Cat. No.: H192101 Peso molecular: 162.19 Número EC: 696-527-4

GRADE & PURITY ≥98%

Synonyms

H1650 | 7-Hydroxy-1-tetralone (5) | MB01768 | FT-0648907 | 7-Hydroxy-1-tetralone | BB 0257319 | CCG-269200 | AC-27437 | AMY14181 | MFCD01312225 | Z1198156579 | SCHEMBL385554 | 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one | NCGC00378990-02 | 7-Hydroxy-3,4-dih

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

H1650 | 7-Hydroxy-1-tetralone (5) | MB01768 | FT-0648907 | 7-Hydroxy-1-tetralone | BB 0257319 | CCG-269200 | AC-27437 | AMY14181 | MFCD01312225 | Z1198156579 | SCHEMBL385554 | 7-hydroxy-3, 4-dihydro-2H-naphthalen-1-one | NCGC00378990-02 | 7-Hydroxy-3, 4-dih

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190365
• Sonrisas canónicas: C1CC2=C(C=C(C=C2)O)C(=O)C1
• IUPAC Name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
• Isómeros SMILES: C1CC2=C(C=C(C=C2)O)C(=O)C1
• Peso molecular: 162.19
• Reaxy-Rn: 2326626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326626&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 215 °C/12 mmHg
• Punto de fusión (°C): 166 °C
• Peso molecular: 162.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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