CAS
950236-91-6 Purity
96%
950236-91-6 Purity
96%
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The molecular formula is C12H11NO3.
It was first created on December 5, 2007.
The molecular weight is 217.22 g/mol.
It is computed by LexiChem 2.6.6.
The Canonical SMILES is CC1=CC2=C(C=C1)NC(=CC2=O)C(=O)OC.
There is 1 hydrogen bond donor count.
The topological polar surface area is 55.4 Ų.
Yes, the compound is canonicalized.
There are 2 rotatable bond counts.
The InChIKey is MRDGZDDDGVIAJY-UHFFFAOYSA-N.