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270088-04-5,MFCD28668960
Catalog No.:AA00IMEH

270088-04-5 | 7-Ethynylcoumarin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
200mg
>98.0%(GC)
in stock  
$182.00   $128.00
- +
1g
>98.0%(GC)
in stock  
$542.00   $380.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IMEH
Chemical Name:
7-Ethynylcoumarin
CAS Number:
270088-04-5
Molecular Formula:
C11H6O2
Molecular Weight:
170.1641
MDL Number:
MFCD28668960
SMILES:
C#Cc1ccc2c(c1)oc(=O)cc2
Properties
Computed Properties
 
Complexity:
295  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Literature

Title: 7-Ethynylcoumarins: selective inhibitors of human cytochrome P450s 1A1 and 1A2.

Journal: Chemical research in toxicology 20120521

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism 20051001

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Tags:270088-04-5 Molecular Formula|270088-04-5 MDL|270088-04-5 SMILES|270088-04-5 7-Ethynylcoumarin