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4-azanylcinnoline-3-carboxylic acid hydrate

4-azanylcinnoline-3-carboxylic acid hydrate

Systemtic Name:4-azanylcinnoline-3-carboxylic acid hydrate
Openeye Name:4-aminocinnoline-3-carboxylic acid hydrate
CAS Name:4-amino-3-cinnolinecarboxylic acid hydrate
IUPAC Name:4-aminocinnoline-3-carboxylic acid hydrate
Traditional Name:4-aminocinnoline-3-carboxylic acid hydrate
Formula: C9H9N3O3
MolecularWeight: 207.18606
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N=N2)C(=O)O)N.O


Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N=N2)C(=O)O)N.O


InChI

InChI=1S/C9H7N3O2.H2O/c10-7-5-3-1-2-4-6(5)11-12-8(7)9(13)14;/h1-4H,(H2,10,11)(H,13,14);1H2


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