Maackiain acetate

Base Information

• Chemical Name: Maackiain acetate
• CAS No.: 2035-16-7
• Molecular Formula: C18H14 O6
• Molecular Weight: 326.3
• DSSTox Substance ID: DTXSID50942507
• Nikkaji Number: J47.252B
• Wikidata: Q82919527
• Mol file: 2035-16-7.mol

Synonyms:maackiain acetate

Chemical Property of Maackiain acetate

Chemical Property:

• Vapor Pressure: 5.89E-08mmHg at 25°C
• Boiling Point: 440.4°Cat760mmHg
• Flash Point: 195.6°C
• PSA: 63.22000
• Density: 1.411g/cm³
• LogP: 2.95030
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 326.07903816
• Heavy Atom Count: 24
• Complexity: 510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5
• Isomeric SMILES: CC(=O)OC1=CC2=C(C=C1)[C@H]3[C@@H](CO2)C4=CC5=C(C=C4O3)OCO5