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5-azanylisoindole-1,3-dione hydrate

5-azanylisoindole-1,3-dione hydrate

Systemtic Name:5-azanylisoindole-1,3-dione hydrate
Openeye Name:5-aminoisoindoline-1,3-dione hydrate
CAS Name:5-aminoisoindole-1,3-dione hydrate
IUPAC Name:5-aminoisoindole-1,3-dione hydrate
Traditional Name:5-aminoisoindoline-1,3-quinone hydrate
Formula: C8H8N2O3
MolecularWeight: 180.16072
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=O)NC2=O.O


Isomeric SMILES

C1=CC2=C(C=C1N)C(=O)NC2=O.O


InChI

InChI=1S/C8H6N2O2.H2O/c9-4-1-2-5-6(3-4)8(12)10-7(5)11;/h1-3H,9H2,(H,10,11,12);1H2


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