Acetic acid

C₂H₄O₂ — CID 176

About Acetic acid

Acetic acid (PubChem CID 176) has the molecular formula C₂H₄O₂ and a molecular weight of 60.05 g/mol. Its IUPAC name is acetic acid.

Molecular Properties

• Compound Name: Acetic acid
• PubChem CID: 176
• Molecular Formula: C₂H₄O₂
• Molecular Weight: 60.05 g/mol
• Exact Mass: 60.02
• IUPAC Name: acetic acid
• SMILES: CC(=O)O
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	60.05
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Acetic acid?

The IUPAC name of Acetic acid (CID 176) is acetic acid.

What is the SMILES notation for Acetic acid?

The canonical SMILES for Acetic acid is CC(=O)O.

What is the InChIKey of Acetic acid?

The InChIKey is QTBSBXVTEAMEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4).

What are the key properties of Acetic acid?

Acetic acid has a molecular weight of 60.05 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Acetic acid is sourced from PubChem (CID 176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4211 — approved-drug record (CC BY-SA 4.0)

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