methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate

Base Information

• Chemical Name: methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
• CAS No.: 127172-90-1
• Molecular Formula: C22H20 O7
• Molecular Weight: 396.39
• Mol file: 127172-90-1.mol

Synonyms:K 259-3;K-259-3

Chemical Property of methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate

Chemical Property:

• Vapor Pressure: 5.94E-18mmHg at 25°C
• Boiling Point: 658.6°C at 760 mmHg
• Flash Point: 233°C
• PSA: 121.13000
• Density: 1.393g/cm³
• LogP: 3.26420
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 396.12090297
• Heavy Atom Count: 29
• Complexity: 699

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC)CC1=CC2=C(C(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
• Isomeric SMILES: CC/C(=C/C)/CC1=CC2=C(C(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C=C(C=C3O)O