CAS
90562-54-2 Purity
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90562-54-2 Purity
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Specification
The molecular formula is C9H9NO2.
The molecular weight is 163.17 g/mol.
The IUPAC name is 7-amino-6-hydroxy-2,3-dihydroinden-1-one.
The InChI is InChI=1S/C9H9NO2/c10-9-7(12)4-2-5-1-3-6(11)8(5)9/h2,4,12H,1,3,10H2.
The InChIKey is MRSWRXVYKIIBJE-UHFFFAOYSA-N.
The canonical SMILES is C1CC(=O)C2=C1C=CC(=C2N)O.
The CAS number is 90563-78-3.
The XLogP3-AA value is 1.2.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptors counts.