Doans

C₁₄H₁₀MgO₆ — CID 54684589

About Doans

Doans (PubChem CID 54684589) has the molecular formula C₁₄H₁₀MgO₆ and a molecular weight of 298.53 g/mol. Its IUPAC name is magnesium bis(2-carboxyphenolate).

Molecular Properties

• Compound Name: Doans
• PubChem CID: 54684589
• Molecular Formula: C₁₄H₁₀MgO₆
• Molecular Weight: 298.53 g/mol
• Exact Mass: 298.03
• IUPAC Name: magnesium bis(2-carboxyphenolate)
• SMILES: O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
• InChI: InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
• InChIKey: MQHWFIOJQSCFNM-UHFFFAOYSA-L
• XLogP: 0.54
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.53
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Doans?

The IUPAC name of Doans (CID 54684589) is magnesium bis(2-carboxyphenolate).

What is the SMILES notation for Doans?

The canonical SMILES for Doans is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].

What is the InChIKey of Doans?

The InChIKey is MQHWFIOJQSCFNM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2.

What are the key properties of Doans?

Doans has a molecular weight of 298.53 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Doans is sourced from PubChem (CID 54684589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54684589 — identifiers, structure, computed properties (public domain)

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