Matteucinol

Base Information

• Chemical Name: Matteucinol
• CAS No.: 489-38-3
• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.338
• DSSTox Substance ID: DTXSID60964134
• Nikkaji Number: J12.582B
• Wikidata: Q27145883
• ChEMBL ID: CHEMBL4164421
• Mol file: 489-38-3.mol

Synonyms:4'-methylfarrerol;matteucinol

Chemical Property of Matteucinol

Chemical Property:

• Vapor Pressure: 7.95E-13mmHg at 25°C
• Boiling Point: 552.7°Cat760mmHg
• Flash Point: 204.1°C
• PSA: 75.99000
• Density: 1.302g/cm³
• LogP: 3.42970
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 314.11542367
• Heavy Atom Count: 23
• Complexity: 431

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)OC)C)O
• Isomeric SMILES: CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)OC)C)O