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459157-21-2,MFCD20645610
Catalog No.:AA01BHSO

459157-21-2 | 4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%+
1 week  
$1,142.00   $799.00
- +
5g
95%+
1 week  
$3,084.00   $2,159.00
- +
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Technical Information
Catalog Number:
AA01BHSO
Chemical Name:
4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CAS Number:
459157-21-2
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD20645610
SMILES:
O=C1CCCCn2c1cc(n2)C(=O)O
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.6  

Literature
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Additional Info:
SDS
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Tags:459157-21-2 Molecular Formula|459157-21-2 MDL|459157-21-2 SMILES|459157-21-2 4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid