Nonaprenyl-4-hydroxybenzoate

Base Information

• Chemical Name: Nonaprenyl-4-hydroxybenzoate
• CAS No.: 38332-13-7
• Molecular Formula: C52H78 O3
• Molecular Weight: 0
• Nikkaji Number: J2.744.423G
• Wikidata: Q27157805
• Metabolomics Workbench ID: 70739
• Mol file: 38332-13-7.mol

Synonyms:3-nonaprenyl-4-hydroxybenzoate;PPHB-9

Chemical Property of Nonaprenyl-4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 2.5E-27mmHg at 25°C
• Boiling Point: 804.5°Cat760mmHg
• Flash Point: 454.3°C
• PSA: 57.53000
• Density: 0.958g/cm³
• LogP: 16.41110
• XLogP3: 17.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 27
• Exact Mass: 750.59509635
• Heavy Atom Count: 55
• Complexity: 1400

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