sodium;2-oxopropanoic acid;chloride

C3H4ClNaO3 — CID 173324944

IUPACsodium;2-oxopropanoic acid;chloride
SMILESCC(=O)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C3H4O3.ClH.Na/c1-2(4)3(5)6;;/h1H3,(H,5,6);1H;/q;;+1/p-1
InChIKeyRPILJHBNCILCAP-UHFFFAOYSA-M
MW146.50 g/mol
LogP-6.33
Rot. Bonds1

About sodium;2-oxopropanoic acid;chloride

sodium;2-oxopropanoic acid;chloride (PubChem CID 173324944) has the molecular formula C3H4ClNaO3 and a molecular weight of 146.50 g/mol. Its IUPAC name is sodium;2-oxopropanoic acid;chloride.

Molecular Properties

Compound Namesodium;2-oxopropanoic acid;chloride
PubChem CID173324944
Molecular FormulaC3H4ClNaO3
Molecular Weight146.50 g/mol
Exact Mass145.97
IUPAC Namesodium;2-oxopropanoic acid;chloride
SMILESCC(=O)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C3H4O3.ClH.Na/c1-2(4)3(5)6;;/h1H3,(H,5,6);1H;/q;;+1/p-1
InChIKeyRPILJHBNCILCAP-UHFFFAOYSA-M
XLogP-6.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.50
LogP ≤ 5-6.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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sodium;acetic acid;carbanide
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Frequently Asked Questions

What is the IUPAC name of sodium;2-oxopropanoic acid;chloride?
The IUPAC name of sodium;2-oxopropanoic acid;chloride (CID 173324944) is sodium;2-oxopropanoic acid;chloride.
What is the SMILES notation for sodium;2-oxopropanoic acid;chloride?
The canonical SMILES for sodium;2-oxopropanoic acid;chloride is CC(=O)C(=O)O.[Cl-].[Na+].
What is the InChIKey of sodium;2-oxopropanoic acid;chloride?
The InChIKey is RPILJHBNCILCAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O3.ClH.Na/c1-2(4)3(5)6;;/h1H3,(H,5,6);1H;/q;;+1/p-1.
What are the key properties of sodium;2-oxopropanoic acid;chloride?
sodium;2-oxopropanoic acid;chloride has a molecular weight of 146.50 g/mol, XLogP of -6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-oxopropanoic acid;chloride is sourced from PubChem (CID 173324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).