lithium;sodium;propanedioate;propanoic acid

C6H8LiNaO6 — CID 175224860

IUPAClithium;sodium;propanedioate;propanoic acid
SMILESCCC(=O)O.O=C([O-])CC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C3H4O4.C3H6O2.Li.Na/c4-2(5)1-3(6)7;1-2-3(4)5;;/h1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5);;/q;;2*+1/p-2
InChIKeyOGQNZIZFPRXGPJ-UHFFFAOYSA-L
MW206.05 g/mol
LogP-8.63
Rot. Bonds3

About lithium;sodium;propanedioate;propanoic acid

lithium;sodium;propanedioate;propanoic acid (PubChem CID 175224860) has the molecular formula C6H8LiNaO6 and a molecular weight of 206.05 g/mol. Its IUPAC name is lithium;sodium;propanedioate;propanoic acid.

Molecular Properties

Compound Namelithium;sodium;propanedioate;propanoic acid
PubChem CID175224860
Molecular FormulaC6H8LiNaO6
Molecular Weight206.05 g/mol
Exact Mass206.04
IUPAC Namelithium;sodium;propanedioate;propanoic acid
SMILESCCC(=O)O.O=C([O-])CC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C3H4O4.C3H6O2.Li.Na/c4-2(5)1-3(6)7;1-2-3(4)5;;/h1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5);;/q;;2*+1/p-2
InChIKeyOGQNZIZFPRXGPJ-UHFFFAOYSA-L
XLogP-8.63
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 5-8.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;sodium;propanedioate;propanoic acid?
The IUPAC name of lithium;sodium;propanedioate;propanoic acid (CID 175224860) is lithium;sodium;propanedioate;propanoic acid.
What is the SMILES notation for lithium;sodium;propanedioate;propanoic acid?
The canonical SMILES for lithium;sodium;propanedioate;propanoic acid is CCC(=O)O.O=C([O-])CC(=O)[O-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;propanedioate;propanoic acid?
The InChIKey is OGQNZIZFPRXGPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O4.C3H6O2.Li.Na/c4-2(5)1-3(6)7;1-2-3(4)5;;/h1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5);;/q;;2*+1/p-2.
What are the key properties of lithium;sodium;propanedioate;propanoic acid?
lithium;sodium;propanedioate;propanoic acid has a molecular weight of 206.05 g/mol, XLogP of -8.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;propanedioate;propanoic acid is sourced from PubChem (CID 175224860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).