CAS
98159-83-2 Purity
96%
98159-83-2 Purity
96%
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Specification
The molecular formula is C9H9NO2.
The molecular weight is 163.17 g/mol.
The IUPAC name is (2R)-2,3-dihydro-1H-indole-2-carboxylic acid.
The InChI is InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m1/s1.
The InChIKey is QNRXNRGSOJZINA-MRVPVSSYSA-N.
The canonical SMILES is C1C(NC2=CC=CC=C21)C(=O)O.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
The topological polar surface area is 49.3 ?2.