3-Hydroxy-2-[(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)-phenylmethyl]-5-methylcyclohex-2-en-1-one

Base Information

• Chemical Name: 3-Hydroxy-2-[(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)-phenylmethyl]-5-methylcyclohex-2-en-1-one
• CAS No.: 7148-11-0
• Molecular Formula: C21H24 O4
• Molecular Weight: 340.4129
• NSC Number: 27934
• DSSTox Substance ID: DTXSID30282771
• ChEMBL ID: CHEMBL1869545
• Mol file: 7148-11-0.mol

Synonyms:MLS002639196;7148-11-0;NSC27934;CHEMBL1869545;DTXSID30282771;HMS3088A13;NSC-27934;SMR001548643

Chemical Property of 3-Hydroxy-2-[(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)-phenylmethyl]-5-methylcyclohex-2-en-1-one

Chemical Property:

• Boiling Point: 528.5oC at 760 mmHg
• Flash Point: 287.5oC
• PSA: 74.60000
• Density: 1.26g/cm3
• LogP: 4.39240
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 340.16745924
• Heavy Atom Count: 25
• Complexity: 576

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=C(C(=O)C1)C(C2=CC=CC=C2)C3=C(CC(CC3=O)C)O)O