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8000-95-1,MFCD00050906
Catalog No.:AA00GMHY

8000-95-1 | CAFFEINE-SODIUM BENZOATE

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  • Technical Information
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Technical Information
Catalog Number:
AA00GMHY
Chemical Name:
CAFFEINE-SODIUM BENZOATE
CAS Number:
8000-95-1
Molecular Formula:
C15H15N4NaO4
Molecular Weight:
338.2938
MDL Number:
MFCD00050906
SMILES:
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)[O-].[Na+]
Properties
Computed Properties
 
Complexity:
401  
Covalently-Bonded Unit Count:
3  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  

Literature
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Additional Info:
SDS
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Tags:8000-95-1 Molecular Formula|8000-95-1 MDL|8000-95-1 SMILES|8000-95-1 CAFFEINE-SODIUM BENZOATE