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79364-50-4,MFCD09840665
Catalog No.:AA00G53O

79364-50-4 | 3-(D-Gluco-pentitol-1-yl)-1,2,4-triazolo[3,4-a]phthalazine

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Technical Information
Catalog Number:
AA00G53O
Chemical Name:
3-(D-Gluco-pentitol-1-yl)-1,2,4-triazolo[3,4-a]phthalazine
CAS Number:
79364-50-4
Molecular Formula:
C14H16N4O5
Molecular Weight:
320.3006
MDL Number:
MFCD09840665
SMILES:
C1=CC=C2C(=C1)C=NN3C2=NN=C3C(C(C(C(CO)O)O)O)O
Properties
Computed Properties
 
Complexity:
403  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
4  
XLogP3:
-2.4  

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SDS
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Tags:79364-50-4 Molecular Formula|79364-50-4 MDL|79364-50-4 SMILES|79364-50-4 3-(D-Gluco-pentitol-1-yl)-1,2,4-triazolo[3,4-a]phthalazine