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58246-00-7,MFCD00704238
Catalog No.:AA00EMOR

58246-00-7 | (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
97%
3 weeks  
$183.00   $128.00
- +
100mg
97%
3 weeks  
$217.00   $152.00
- +
250mg
97%
3 weeks  
$259.00   $182.00
- +
500mg
97%
3 weeks  
$342.00   $239.00
- +
1g
97%
3 weeks  
$406.00   $284.00
- +
2.5g
97%
3 weeks  
$558.00   $390.00
- +
5g
97%
3 weeks  
$813.00   $569.00
- +
10g
97%
3 weeks  
$1,133.00   $793.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00EMOR
Chemical Name:
(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
CAS Number:
58246-00-7
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00704238
SMILES:
OC(=O)CC1N(C=Cc2c1cccc2)C(=O)C
Properties
Computed Properties
 
Complexity:
351  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.9  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:58246-00-7 Molecular Formula|58246-00-7 MDL|58246-00-7 SMILES|58246-00-7 (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid