CAS
948294-33-5 Purity
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948294-33-5 Purity
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Specification
The molecular formula is C13H11NO4.
It was created on November 13, 2007.
The IUPAC Name is 6,7-dimethylquinoline-2,3-dicarboxylic acid.
The InChIKey is JGAHTWZHTMWMSG-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC2=CC(=C(N=C2C=C1C)C(=O)O)C(=O)O.
The molecular weight is 245.23 g/mol.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 87.5 Ų.
Yes, it is considered the canonical form.
It has 1 covalently-bonded unit count.