Thermoplasmaquinone

Base Information

• Chemical Name: Thermoplasmaquinone
• CAS No.: 97858-30-5
• Molecular Formula: C47H66 O2
• Molecular Weight: 0
• Nikkaji Number: J1.485.232H
• Metabolomics Workbench ID: 104148
• Mol file: 97858-30-5.mol

Synonyms:thermoplasmaquinone;TPQ-7 cpd

Chemical Property of Thermoplasmaquinone

Chemical Property:

• Vapor Pressure: 3.14E-21mmHg at 25°C
• Boiling Point: 731°Cat760mmHg
• Flash Point: 258.2°C
• PSA: 34.14000
• Density: 0.959g/cm³
• LogP: 14.40580
• XLogP3: 15.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 662.50628134
• Heavy Atom Count: 49
• Complexity: 1340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=O)C(=C(C2=O)C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
• Isomeric SMILES: CC1=C2C(=CC=C1)C(=O)C(=C(C2=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C