CAS
92218-39-8 Purity
96%
92218-39-8 Purity
96%
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Specification
The molecular formula is C7H7NO3.
The molecular weight is 153.14 g/mol.
The IUPAC name is 4-acetyl-3-amino-5-methylidenefuran-2-one.
The InChIKey is QTOMAGIHKSWYFG-UHFFFAOYSA-N.
The Canonical SMILES is CC(=O)C1=C(C(=O)OC1=C)N.
The XLogP3-AA value is 0.3.
It has 1 Hydrogen Bond Donor Count.
It has 1 Rotatable Bond Count.
The Formal Charge is 0.
Yes, the Compound Is Canonicalized.