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87-05-8,MFCD00016971
Catalog No.:AA00GRG4

87-05-8 | 7-Ethoxy-4-methylcoumarin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$40.00   $28.00
- +
25g
95%
in stock  
$164.00   $115.00
- +
100g
95%
in stock  
$502.00   $352.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00GRG4
Chemical Name:
7-Ethoxy-4-methylcoumarin
CAS Number:
87-05-8
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD00016971
SMILES:
CCOc1ccc2c(c1)oc(=O)cc2C
NSC Number:
60561
Properties
Computed Properties
 
Complexity:
283  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Literature

Title: [Determination of five coumarins in toys by high performance liquid chromatography-tandem mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20120201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Simultaneous determination of urinary metabolites of methoxypsoralens in human and Umbelliferae medicines by high-performance liquid chromatography.

Journal: Journal of chromatographic science 20060901

Title: Kuhn UD, et al. Induction of cytochrome P450 1A1 in rat liver slices by 7-ethoxycoumarin and 4-methyl-7-ethoxycoumarin. Exp Toxicol Pathol. 1998 Sep;50(4-6):491-6.

Title: Liu J, et al. Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry. 2016 Apr 5;55(13):1997-2007.

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Tags:87-05-8 Molecular Formula|87-05-8 MDL|87-05-8 SMILES|87-05-8 7-Ethoxy-4-methylcoumarin |Organic_Building_Blocks