Salicylic acid

C₇H₆O₃ — CID 338

About Salicylic acid

Salicylic acid (PubChem CID 338) has the molecular formula C₇H₆O₃ and a molecular weight of 138.12 g/mol. Its IUPAC name is 2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: Salicylic acid
• PubChem CID: 338
• Molecular Formula: C₇H₆O₃
• Molecular Weight: 138.12 g/mol
• Exact Mass: 138.03
• IUPAC Name: 2-hydroxybenzoic acid
• SMILES: O=C(O)c1ccccc1O
• InChI: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
• InChIKey: YGSDEFSMJLZEOE-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	138.12
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Salicylic acid?

The IUPAC name of Salicylic acid (CID 338) is 2-hydroxybenzoic acid.

What is the SMILES notation for Salicylic acid?

The canonical SMILES for Salicylic acid is O=C(O)c1ccccc1O.

What is the InChIKey of Salicylic acid?

The InChIKey is YGSDEFSMJLZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10).

What are the key properties of Salicylic acid?

Salicylic acid has a molecular weight of 138.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Salicylic acid is sourced from PubChem (CID 338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 338 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2416 — approved-drug record (CC BY-SA 4.0)

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