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938058-97-0,MFCD03964559
Catalog No.:AA00IHS5

938058-97-0 | 1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium

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  • Technical Information
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Technical Information
Catalog Number:
AA00IHS5
Chemical Name:
1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium
CAS Number:
938058-97-0
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD03964559
SMILES:
[O-]C(=O)Cn1c[n+](c2c1cccc2)CC(=O)O
Properties
Computed Properties
 
Complexity:
315  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.6  

Literature
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SDS
Tags:938058-97-0 Molecular Formula|938058-97-0 MDL|938058-97-0 SMILES|938058-97-0 1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium