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878742-28-0,MFCD09037914
Catalog No.:AA008CD7

878742-28-0 | 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
10g
95%
in stock  
$523.00   $366.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008CD7
Chemical Name:
3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
CAS Number:
878742-28-0
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD09037914
SMILES:
OC(=O)c1cccc(c1)C#CC(O)(C)C
Properties
Computed Properties
 
Complexity:
305  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route
Literature
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Additional Info:
SDS
Tags:878742-28-0 Molecular Formula|878742-28-0 MDL|878742-28-0 SMILES|878742-28-0 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid