CAS
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Specification
The molecular formula is C11H8N2O3.
The molecular weight is 216.19 g/mol.
The IUPAC name is 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
The InChI is InChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15).
The InChIKey is LCCZBCRICIYZCV-UHFFFAOYSA-N.
The canonical SMILES is C1C2=C(NN=C2C3=CC=CC=C3O1)C(=O)O.
The XLogP3-AA value is 1.3.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.