Psoralen, 8-geranyl-5-methoxy-

Base Information

• Chemical Name: Psoralen, 8-geranyl-5-methoxy-
• CAS No.: 17182-52-4
• Molecular Formula: C22H24 O5
• Molecular Weight: 368.423
• Nikkaji Number: J1.515.107B,J2.609.106C
• Metabolomics Workbench ID: 125610
• ChEMBL ID: CHEMBL1934197
• Mol file: 17182-52-4.mol

Synonyms:Psoralen, 8-geranyl-5-methoxy-;CHEMBL1934197;17182-52-4;(8-Geranoxy-5-methoxypsoralen;BDBM50361391;4-Methoxy-9-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one

Chemical Property of Psoralen, 8-geranyl-5-methoxy-

Chemical Property:

• Vapor Pressure: 1.87E-11mmHg at 25°C
• Boiling Point: 533.4°Cat760mmHg
• Flash Point: 276.4°C
• Density: 1.16g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 368.16237386
• Heavy Atom Count: 27
• Complexity: 616

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C
• Isomeric SMILES: CC(=CCC/C(=C/COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/C)C

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