90972-27-3 Purity
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Specification
The molecular formula of 2-CYANOBENZALDEHYDE OXIME is C8H6N2O.
The molecular weight of 2-CYANOBENZALDEHYDE OXIME is 146.15 g/mol.
The IUPAC name of 2-CYANOBENZALDEHYDE OXIME is 2-[(E)-hydroxyiminomethyl]benzonitrile.
The InChI of 2-CYANOBENZALDEHYDE OXIME is InChI=1S/C8H6N2O/c9-5-7-3-1-2-4-8(7)6-10-11/h1-4,6,11H/b10-6+.
The InChIKey of 2-CYANOBENZALDEHYDE OXIME is PBMACDJMJFWTQR-UXBLZVDNSA-N.
The canonical SMILES of 2-CYANOBENZALDEHYDE OXIME is C1=CC=C(C(=C1)C=NO)C#N.
The isomeric SMILES of 2-CYANOBENZALDEHYDE OXIME is C1=CC=C(C(=C1)/C=N/O)C#N.
The Chembl ID of 2-CYANOBENZALDEHYDE OXIME is CHEMBL1970759.
The NSC number of 2-CYANOBENZALDEHYDE OXIME is 635960.
The XLogP3-AA value of 2-CYANOBENZALDEHYDE OXIME is 1.4.