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418805-51-3,MFCD03108607
Catalog No.:AA00CY8W

418805-51-3 | 3-(1H-1,2,4-Triazol-1-yl)adamantane-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
95%
2 weeks  
$322.00   $225.00
- +
20mg
95%
2 weeks  
$338.00   $237.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00CY8W
Chemical Name:
3-(1H-1,2,4-Triazol-1-yl)adamantane-1-carboxylic acid
CAS Number:
418805-51-3
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
MDL Number:
MFCD03108607
SMILES:
OC(=O)C12CC3CC(C1)CC(C2)(C3)n1cncn1
Properties
Properties
 
BP:
455°C at 760 mmHg  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
384  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
1.3  

Literature
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SDS
Tags:418805-51-3 Molecular Formula|418805-51-3 MDL|418805-51-3 SMILES|418805-51-3 3-(1H-1,2,4-Triazol-1-yl)adamantane-1-carboxylic acid