4-(1-Hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid

Base Information

• Chemical Name: 4-(1-Hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
• CAS No.: 116193-60-3
• Molecular Formula: C24H26 O5
• Molecular Weight: 394.46
• ChEMBL ID: CHEMBL169396
• Mol file: 116193-60-3.mol

Synonyms:4-(1-hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid;Re 80;Re-80

Chemical Property of 4-(1-Hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid

Chemical Property:

• Vapor Pressure: 6.54E-16mmHg at 25°C
• Boiling Point: 613.6°Cat760mmHg
• Flash Point: 338.9°C
• PSA: 94.83000
• Density: 1.212g/cm³
• LogP: 5.22120
• XLogP3: 6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 394.17802393
• Heavy Atom Count: 29
• Complexity: 669

Purity/Quality:

RE 80 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)C=C(C3=CC=C(C=C3)C(=O)O)O)(C)C)C
• Isomeric SMILES: CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)/C=C(/C3=CC=C(C=C3)C(=O)O)\O)(C)C)C