Cristatic acid

Base Information

• Chemical Name: Cristatic acid
• CAS No.: 80557-13-7
• Molecular Formula: C23H28O5
• Molecular Weight: 384.4654
• NSC Number: 338268
• UNII: V2UHQ4A27L
• DSSTox Substance ID: DTXSID801110375
• Nikkaji Number: J53.004B
• ChEMBL ID: CHEMBL1985180
• Mol file: 80557-13-7.mol

Synonyms:cristatic acid

Chemical Property of Cristatic acid

Chemical Property:

• Vapor Pressure: 1.81E-14mmHg at 25°C
• Boiling Point: 583.8°Cat760mmHg
• Flash Point: 306.8°C
• PSA: 90.90000
• Density: 1.184g/cm³
• LogP: 5.63230
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 384.19367399
• Heavy Atom Count: 28
• Complexity: 578

Purity/Quality:

99% ^*data from raw suppliers

CRISTATIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCCC2=COC(=C2)C=C(C)C)O
• Isomeric SMILES: CC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCCC2=COC(=C2)C=C(C)C)O