Qianhucoumarin A

Base Information

• Chemical Name: Qianhucoumarin A
• CAS No.: 150135-35-6
• Molecular Formula: C19H20 O6
• Molecular Weight: 344.36
• Wikidata: Q105225459
• Mol file: 150135-35-6.mol

Synonyms:3'-hydroxy-4'-tigloyloxy-3',4'-dihydroseslin;qianhucoumarin A

Chemical Property of Qianhucoumarin A

Chemical Property:

• Vapor Pressure: 4.4E-10mmHg at 25°C
• Boiling Point: 481.5°Cat760mmHg
• PKA: 12.88±0.60(Predicted)
• Flash Point: 170°C
• PSA: 85.97000
• Density: 1.31g/cm³
• LogP: 2.87540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 344.12598835
• Heavy Atom Count: 25
• Complexity: 619

Purity/Quality:

99%+, ^*data from raw suppliers

QianhucoumarinA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
• Isomeric SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O