1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

• Catalog Number: ACMA00001700
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 217.22
• Hazard Statements: H302-H315-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The molecular formula is C12H11NO3.

What is the molecular weight of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The molecular weight is 217.22 g/mol.

What is the IUPAC name of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The IUPAC name is 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid.

What is the InChI of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The InChI is InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16).

What is the InChIKey of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The InChIKey is BRENAYCUDGIHED-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid?

The Canonical SMILES is CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)C.

How many hydrogen bond donor counts are there in the molecule?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in the molecule?

There are 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the molecule?

The topological polar surface area is 57.6 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.