Kinocoumarin

Base Information

• Chemical Name: Kinocoumarin
• CAS No.: 119139-65-0
• Molecular Formula: C24H28 O4
• UNII: 6A5C8UK4RE
• DSSTox Substance ID: DTXSID501114823
• Nikkaji Number: J794.530B
• Wikidata: Q27158342
• Mol file: 119139-65-0.mol

Synonyms:Kinocoumarin;119139-65-0;6A5C8UK4RE;UNII-6A5C8UK4RE;2,2-Dimethyl-3,10-bis(2-methylbut-3-en-2-yl)-5-oxidanyl-pyrano(3,2-g)chromen-8-one;2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7,10-bis(1,1-dimethyl-2-propen-1-yl)-5-hydroxy-8,8-dimethyl-;7,10-Bis(1,1-dimethyl-2-propen-1-yl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one;5-hydroxy-2,2-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one;7,10-Bis(1,1-dimethyl-2-propen-1-yl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one;CHEBI:85125;DTXSID501114823;Q27158342;5-hydroxy-8,8-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-2H,8H-pyrano[3,2-g]chromen-2-one

Chemical Property of Kinocoumarin

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 740

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C