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63413-91-2,MFCD00075084
Catalog No.:AA003I72

63413-91-2 | 3-(Phenylthio)acrylic acid

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Purity
Availability
Price(USD)
Quantity
  
100mg
3 weeks  
$308.00   $215.00
- +
500mg
3 weeks  
$342.00   $239.00
- +
1g
3 weeks  
$385.00   $269.00
- +
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Technical Information
Catalog Number:
AA003I72
Chemical Name:
3-(Phenylthio)acrylic acid
CAS Number:
63413-91-2
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
MDL Number:
MFCD00075084
SMILES:
OC(=O)/C=C\Sc1ccccc1
NSC Number:
122682
Properties
Computed Properties
 
Complexity:
171  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.1  

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:63413-91-2 Molecular Formula|63413-91-2 MDL|63413-91-2 SMILES|63413-91-2 3-(Phenylthio)acrylic acid