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Home Other Building Blocks 350997-58-9
350997-58-9,MFCD01993662
Catalog No.:AA00BY3W

350997-58-9 | 3-Isobutoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$135.00   $95.00
- +
5g
98%
in stock  
$391.00   $274.00
- +
10g
98%
in stock  
$643.00   $450.00
- +
25g
98%
in stock  
$1,341.00   $939.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BY3W
Chemical Name:
3-Isobutoxybenzoic acid
CAS Number:
350997-58-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD01993662
SMILES:
CC(COc1cccc(c1)C(=O)O)C
Properties
Properties
 
Form:
Solid  
MP:
87-88°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.4  

Downstream Synthesis Route
350997-58-9    18595-12-5   
C20H23NO4 

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.1026-1029

[1]Jakubczyk,Michał;Sporzyński,Andrzej;Emel'yanenko,VladimirN.;Varfolomeev,MikhailA.;Verevkin,SergeyP.[ThermochimicaActa,2015,vol.615,p.88-97]

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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SDS
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