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227619-65-0,MFCD08703103
Catalog No.:AA00BDOH

227619-65-0 | 3-HYDROXY-4,5,6,6A-TETRAHYDRO-3AH-PYRROLO[3,4-D]ISOXAZOLE-6-CARBOXYLIC ACID

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Technical Information
Catalog Number:
AA00BDOH
Chemical Name:
3-HYDROXY-4,5,6,6A-TETRAHYDRO-3AH-PYRROLO[3,4-D]ISOXAZOLE-6-CARBOXYLIC ACID
CAS Number:
227619-65-0
Molecular Formula:
C12H16N4O8
Molecular Weight:
344.2774
MDL Number:
MFCD08703103
SMILES:
OC(=O)[C@H]1NC[C@H]2[C@@H]1ON=C2O.OC(=O)[C@@H]1NC[C@@H]2[C@H]1ON=C2O
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
-3.9  

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Tags:227619-65-0 Molecular Formula|227619-65-0 MDL|227619-65-0 SMILES|227619-65-0 3-HYDROXY-4,5,6,6A-TETRAHYDRO-3AH-PYRROLO[3,4-D]ISOXAZOLE-6-CARBOXYLIC ACID