CAS
899423-94-0 Purity
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899423-94-0 Purity
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The molecular formula is C8H7NO2.
It was created on 2010-03-30 and modified on 2023-12-30.
The IUPAC name is 4-methanimidoylbenzoic acid.
The InChI is InChI=1S/C8H7NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,9H,(H,10,11).
The InChIKey is GGKJFWNXTXYBQZ-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1C=N)C(=O)O.
The molecular weight is 149.15 g/mol.
It has 2 hydrogen bond donor count.
It has 3 hydrogen bond acceptor count.
Yes, the compound is canonicalized in PubChem.