5-Sulphosalicylic acid

• Catalog Number: ACM97052
• Product Name: 5-Sulphosalicylic acid
• CAS: 97-05-2
• Category: Heterocyclic Organic Compound
• Description: Solid
• IUPAC Name: 2-hydroxy-5-sulfobenzoic acid
• Molecular Weight: 218.19g/mol
• Molecular Formula: C7H6O6S
• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O
• InChI: InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
• InChI Key: YCPXWRQRBFJBPZ-UHFFFAOYSA-N
• Melting Point: 120.0 °C
• Complexity: 316
• Covalently-Bonded Unit Count: 1
• EC Number: 202-555-6
• Exact Mass: 217.988509g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 3
• Heavy Atom Count: 14
• Monoisotopic Mass: 217.988509g/mol
• NSC Number: 190565;4741
• Rotatable Bond Count: 2
• UNII: L8XED79U3U
• XLogP3: 1.3

Custom Q&A

What is the molecular formula of 5-Sulphosalicylic acid?

The molecular formula of 5-Sulphosalicylic acid is C7H6O6S.

What is the molecular weight of 5-Sulphosalicylic acid?

The molecular weight of 5-Sulphosalicylic acid is 218.19 g/mol.

What is the IUPAC name of 5-Sulphosalicylic acid?

The IUPAC name of 5-Sulphosalicylic acid is 2-hydroxy-5-sulfobenzoic acid.

What is the InChI of 5-Sulphosalicylic acid?

The InChI of 5-Sulphosalicylic acid is InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13).

What is the InChIKey of 5-Sulphosalicylic acid?

The InChIKey of 5-Sulphosalicylic acid is YCPXWRQRBFJBPZ-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Sulphosalicylic acid?

The canonical SMILES of 5-Sulphosalicylic acid is C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.

What is the CAS number of 5-Sulphosalicylic acid?

The CAS number of 5-Sulphosalicylic acid is 97-05-2.

What is the UNII of 5-Sulphosalicylic acid?

The UNII of 5-Sulphosalicylic acid is L8XED79U3U.

What is the ChEMBL ID of 5-Sulphosalicylic acid?

The ChEMBL ID of 5-Sulphosalicylic acid is CHEMBL229241.