Citric acid

C₆H₈O₇ — CID 311

About Citric acid

Citric acid (PubChem CID 311) has the molecular formula C₆H₈O₇ and a molecular weight of 192.12 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

• Compound Name: Citric acid
• PubChem CID: 311
• Molecular Formula: C₆H₈O₇
• Molecular Weight: 192.12 g/mol
• Exact Mass: 192.03
• IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid
• SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)O
• InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
• XLogP: -1.25
• TPSA: 132.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.12
LogP ≤ 5	-1.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Citric acid?

The IUPAC name of Citric acid (CID 311) is 2-hydroxypropane-1,2,3-tricarboxylic acid.

What is the SMILES notation for Citric acid?

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

What is the InChIKey of Citric acid?

The InChIKey is KRKNYBCHXYNGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).

What are the key properties of Citric acid?

Citric acid has a molecular weight of 192.12 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Citric acid is sourced from PubChem (CID 311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 311 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 666 — approved-drug record (CC BY-SA 4.0)

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