sodium 2-ethoxyacetate

C4H7NaO3 — CID 23665746

IUPACsodium 2-ethoxyacetate
SMILESCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C4H8O3.Na/c1-2-7-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyGYMRDVXSOQVBSJ-UHFFFAOYSA-M
MW126.09 g/mol
LogP-4.22
Rot. Bonds3

About sodium 2-ethoxyacetate

sodium 2-ethoxyacetate (PubChem CID 23665746) has the molecular formula C4H7NaO3 and a molecular weight of 126.09 g/mol. Its IUPAC name is sodium 2-ethoxyacetate.

Molecular Properties

Compound Namesodium 2-ethoxyacetate
PubChem CID23665746
Molecular FormulaC4H7NaO3
Molecular Weight126.09 g/mol
Exact Mass126.03
IUPAC Namesodium 2-ethoxyacetate
SMILESCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C4H8O3.Na/c1-2-7-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyGYMRDVXSOQVBSJ-UHFFFAOYSA-M
XLogP-4.22
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-4.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxyacetate?
The IUPAC name of sodium 2-ethoxyacetate (CID 23665746) is sodium 2-ethoxyacetate.
What is the SMILES notation for sodium 2-ethoxyacetate?
The canonical SMILES for sodium 2-ethoxyacetate is CCOCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-ethoxyacetate?
The InChIKey is GYMRDVXSOQVBSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3.Na/c1-2-7-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium 2-ethoxyacetate?
sodium 2-ethoxyacetate has a molecular weight of 126.09 g/mol, XLogP of -4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxyacetate is sourced from PubChem (CID 23665746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).