CAS
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Specification
The molecular formula is C9H7NO3.
The molecular weight is 177.16 g/mol.
The IUPAC name is 2-(2-cyanophenoxy)acetic acid.
The InChI is InChI=1S/C9H7NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,6H2,(H,11,12).
The InChIKey is FNJPHLBTJIHHPG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)C#N)OCC(=O)O.
The CAS number is 6574-95-4.
The XLogP3 value is 1.1.
It has 1 hydrogen bond donor count.
It has 3 rotatable bond counts.