4-(2-Oxo-benzooxazol-3-yl)-butyric acid

• Catalog Number: ACMA00002191
• Category: Ethers
• Molecular Weight: 221.21
• Molecular Formula: C₁₁H₁₁FO₄
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H11NO4.

What is the molecular weight of the compound?

The molecular weight is 221.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H11NO4/c13-10(14)6-3-7-12-8-4-1-2-5-9(8)16-11(12)15/h1-2,4-5H,3,6-7H2,(H,13,14).

What is the InChIKey of the compound?

The InChIKey is SRSAVCBMZKGUNE-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)O.

What is the CAS number of the compound?

The CAS number is 13610-66-7.

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

The European Community (EC) number is 856-462-6.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.2.

Is the compound canonicalized?

Yes, the compound is canonicalized.