Tropolone - PharmPure™, ≥98% , CAS No.533-75-5

CAS: 533-75-5 Cat. No.: GMP1527776 Formula: C₇H₆O₂ Peso molecolare: 122.12 Beilstein Registry Number: 1904978 Numero EC: 208-577-2 PubChem CID: 10789

GRADE & PURITY PharmPure™, ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifiche e purezza

PharmPure™, ≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

PharmPure™

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C(=O)C=C1)O

IUPAC Name

2-hydroxycyclohepta-2,4,6-trien-1-one

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

Isomeri SMILES

C1=CC=C(C(=O)C=C1)O

WGK Germania

3

RTECS

GU4075000

PubChem CID

10789

Peso molecolare

122.12

Beilstein

1904978

Reaxy-Rn

1904978

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Classe Tropones
      • Subclass Tropolones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Classe: Tropones
• Subclass: Tropolones
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropolones
• Alternative Parents: Cyclic ketones Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
• External Descriptors: cyclic ketone

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 water.
• Sensibilità: heat sensitive&Moisture sensitive.
• Punto di infiammabilità (°F): 233.6 °F
• Punto di infiammabilità (°C): 112 °C
• Punto di ebollizione (°C): 80-84°C
• Punto di fusione (°C): 50-52°C
• Peso molecolare: 122.120 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.037 Da
• Monoisotopic Mass: 122.037 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 209.000
• 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