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Home Carboxes 70918-54-6
70918-54-6,MFCD00239408
Catalog No.:AA0062SF

70918-54-6 | (S)-1,4-Benzodioxane-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$51.00   $36.00
- +
250mg
95%
in stock  
$84.00   $59.00
- +
500mg
95%
in stock  
$121.00   $85.00
- +
1g
95%
in stock  
$132.00   $93.00
- +
5g
97%
in stock  
$334.00   $234.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0062SF
Chemical Name:
(S)-1,4-Benzodioxane-2-carboxylic acid
CAS Number:
70918-54-6
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00239408
SMILES:
OC(=O)[C@@H]1COc2c(O1)cccc2
Properties
Properties
 
BP:
347.2 °C at 760 mmHg  
Form:
Solid  
MP:
96-99 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1987,vol.30,p.49-57

[2]JournalofMedicinalChemistry,1999,vol.42,p.4214-4224

541-41-3    70918-54-6   
C12H12O6 

[1]JournalofMedicinalChemistry,1999,vol.42,p.4214-4224

[1]JournalofMedicinalChemistry,1999,vol.42,p.4214-4224

4739-94-0    70918-54-6   
(R)-ethyl2,3-dihydrobenzob1,4dioxine-2-carboxylate 

[1]TetrahedronAsymmetry,2001,vol.12,p.2169-2174

[1]EuropeanJournalofMedicinalChemistry,2017,vol.136,p.259-269

[2]TetrahedronAsymmetry,2001,vol.12,p.2169-2174

[3]Chirality,2018,vol.30,p.943-950

Literature
Quotation Request
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Additional Info:
SDS
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Tags:70918-54-6 Molecular Formula|70918-54-6 MDL|70918-54-6 SMILES|70918-54-6 (S)-1,4-Benzodioxane-2-carboxylic acid