CAS
912772-94-2 Purity
96%
912772-94-2 Purity
96%
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Specification
The molecular formula is C13H11NO3.
It was created on May 28, 2009.
It is computed by LexiChem 2.6.6.
The Canonical SMILES is COC1=CC=CC(=C1)C2=C(C=CC=N2)C(=O)O.
The InChIKey is ZRYTWHAZDNPNRQ-UHFFFAOYSA-N.
There is 1 hydrogen bond donor count.
The exact mass is 229.07389321 g/mol.
There are 3 rotatable bond counts.
The topological polar surface area is 59.4 Å2.
Yes, it is a canonicalized compound.