4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxylic acid

• Catalog Number: ACMA00000787
• Category: Amines
• Molecular Weight: 223.25
• Molecular Formula: C₁₀H₉NO₃
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxylic acid?

The molecular formula is C10H9NO3S.

What are the synonyms of 4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxylic acid?

The synonyms are 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid and 1,5-Benzothiazepine-7-carboxylic acid, 2,3,4,5-tetrahydro-4-oxo-.

What is the molecular weight of the compound?

The molecular weight is 223.25 g/mol.

When was the compound created and last modified?

The compound was created on September 17, 2005, and last modified on December 3, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C10H9NO3S/c12-9-3-4-15-8-2-1-6(10(13)14)5-7(8)11-9/h1-2,5H,3-4H2,(H,11,12)(H,13,14).

What is the InChIKey of the compound?

The InChIKey is LPFHJSPWVVGCID-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CSC2=C(C=C(C=C2)C(=O)O)NC1=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.8.

How many hydrogen bond donor and acceptor counts does the compound have?

The compound has 2 hydrogen bond donor counts and 4 hydrogen bond acceptor counts.