3-Hexaprenyl-4,5-dihydroxybenzoic acid

Base Information

• Chemical Name: 3-Hexaprenyl-4,5-dihydroxybenzoic acid
• CAS No.: 63975-40-6
• Molecular Formula: C37H54 O4
• Molecular Weight: 562.8223
• Metabolomics Workbench ID: 29093
• Nikkaji Number: J2.754.909H
• Wikidata: Q27102807
• Mol file: 63975-40-6.mol

Synonyms:3,4-dihydroxy-5-hexaprenylbenzoic acid;DHHPBA

Chemical Property of 3-Hexaprenyl-4,5-dihydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.13E-20mmHg at 25°C
• Boiling Point: 701.8°Cat760mmHg
• Flash Point: 392.2°C
• PSA: 77.76000
• Density: 1.015g/cm³
• LogP: 10.93720
• XLogP3: 11.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 562.40221020
• Heavy Atom Count: 41
• Complexity: 971

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC(=C1)C(=O)O)O)O)C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)C