3-Hexaprenyl-4-hydroxybenzoic acid

Base Information

• Chemical Name: 3-Hexaprenyl-4-hydroxybenzoic acid
• CAS No.: 65848-03-5
• Molecular Formula: C37H54O3
• Molecular Weight: 546.8229
• UNII: R9CFF48J56
• DSSTox Substance ID: DTXSID701108775
• Metabolomics Workbench ID: 77465
• Nikkaji Number: J669.042D
• Wikidata: Q27114146
• Mol file: 65848-03-5.mol

Synonyms:3-hexaprenyl-4-hydroxybenzoate;3-hexaprenyl-4-hydroxybenzoic acid

Chemical Property of 3-Hexaprenyl-4-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 671.1°Cat760mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 373.7°C
• PSA: 57.53000
• Density: 0.983g/cm³
• LogP: 11.23160
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 546.40729558
• Heavy Atom Count: 40
• Complexity: 937

Purity/Quality:

99%min ^*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)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)/C)/C)/C)/C)/C)C