4-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid

• Catalog Number: ACMA00000955
• Category: Amines
• Molecular Weight: 255.29
• Molecular Formula: C₁₁H₁₃NO₂
• Hazard Statements: H302
• 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 C11H13NO4S.

What are the synonyms of the compound?

The synonyms of the compound include 22230-37-1, 4-(1,1-Dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzoic acid, 4-(1,1-dioxothiazinan-2-yl)benzoic acid, and MLS000716481.

What is the molecular weight of the compound?

The molecular weight of the compound is 255.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(1,1-dioxothiazinan-2-yl)benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H13NO4S/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-17(12,15)16/h3-6H,1-2,7-8H2,(H,13,14).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.1.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.