99982-60-2 Purity
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Specification
The molecular formula is C11H10N2O2.
The synonyms include 4-amino-2-methylquinoline-6-carboxylic acid, 99984-73-3, and 4-amino-2-methyl-quinoline-6-carboxylic acid.
The molecular weight is 202.21 g/mol.
The IUPAC name is 4-amino-2-methylquinoline-6-carboxylic acid.
The InChI code is InChI=1S/C11H10N2O2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)(H,14,15).
The InChIKey is MRGARODDQXEDJP-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C2C=C(C=CC2=N1)C(=O)O)N.
The XLogP3-AA value is 1.4.
4-Amino-2-methylquinoline-6-carboxylic acid has 2 hydrogen bond donor counts.
4-Amino-2-methylquinoline-6-carboxylic acid has 1 rotatable bond count.