sodium 2-methoxy-2-oxoethanolate

C3H5NaO3 — CID 23673095

IUPACsodium 2-methoxy-2-oxoethanolate
SMILESCOC(=O)C[O-].[Na+]
InChIInChI=1S/C3H5O3.Na/c1-6-3(5)2-4;/h2H2,1H3;/q-1;+1
InChIKeyXEASBFCHDMSSLN-UHFFFAOYSA-N
MW112.06 g/mol
LogP-4.48
Rot. Bonds1

About sodium 2-methoxy-2-oxoethanolate

sodium 2-methoxy-2-oxoethanolate (PubChem CID 23673095) has the molecular formula C3H5NaO3 and a molecular weight of 112.06 g/mol. Its IUPAC name is sodium 2-methoxy-2-oxoethanolate.

Molecular Properties

Compound Namesodium 2-methoxy-2-oxoethanolate
PubChem CID23673095
Molecular FormulaC3H5NaO3
Molecular Weight112.06 g/mol
Exact Mass112.01
IUPAC Namesodium 2-methoxy-2-oxoethanolate
SMILESCOC(=O)C[O-].[Na+]
InChIInChI=1S/C3H5O3.Na/c1-6-3(5)2-4;/h2H2,1H3;/q-1;+1
InChIKeyXEASBFCHDMSSLN-UHFFFAOYSA-N
XLogP-4.48
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.06
LogP ≤ 5-4.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 87726616
CID 87726616
dimethyl 6,7-dioxododecanedioate
CID 71343651
4-methoxy-4-oxobutanoate
CID 6930703
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
methyl 2-bromoacetate
CID 10487067
(2-methoxy-2-oxoethyl)phosphanium bromide
CID 44717091
methyl 2-selanylacetate
CID 171384637
2-methoxy-2-oxoethanesulfonate
CID 86306875
methyl 3-methyliodanuidylpropanoate
CID 156903426
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323

Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxy-2-oxoethanolate?
The IUPAC name of sodium 2-methoxy-2-oxoethanolate (CID 23673095) is sodium 2-methoxy-2-oxoethanolate.
What is the SMILES notation for sodium 2-methoxy-2-oxoethanolate?
The canonical SMILES for sodium 2-methoxy-2-oxoethanolate is COC(=O)C[O-].[Na+].
What is the InChIKey of sodium 2-methoxy-2-oxoethanolate?
The InChIKey is XEASBFCHDMSSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3.Na/c1-6-3(5)2-4;/h2H2,1H3;/q-1;+1.
What are the key properties of sodium 2-methoxy-2-oxoethanolate?
sodium 2-methoxy-2-oxoethanolate has a molecular weight of 112.06 g/mol, XLogP of -4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxy-2-oxoethanolate is sourced from PubChem (CID 23673095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).