CAS
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Specification
The molecular formula is C14H14N2O2.
The molecular weight is 242.27 g/mol.
The IUPAC name is 3-amino-2-(4-methylanilino)benzoic acid.
The InChI is InChI=1S/C14H14N2O2/c1-9-5-7-10(8-6-9)16-13-11(14(17)18)3-2-4-12(13)15/h2-8,16H,15H2,1H3,(H,17,18)
The InChIKey is GTTBSDNXVFGONG-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC=C(C=C1)NC2=C(C=CC=C2N)C(=O)O.
The CAS number is 116702-65-9.
The Hydrogen Bond Donor Count is 3.
The Hydrogen Bond Acceptor Count is 4.
Yes, it is a canonical compound.