2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid

• Catalog Number: ACMA00000788
• Category: Amines
• Molecular Weight: 223.25
• Molecular Formula: C₁₀H₉F₆N
• Appearance: solid
• Hazard Statements: H302-H350-H411
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H9NO3S.

What is the molecular weight of the compound?

The molecular weight of the compound is 223.25 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H9NO3S/c1-5-9(12)11-7-4-6(10(13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14).

What is the InChIKey of the compound?

The InChIKey of the compound is QSSXMCACTGDTCK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 272437-85-1.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 834-217-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.