sodium;methoxymethanone;hydrate

C2H5NaO3 — CID 174856420

IUPACsodium;methoxymethanone;hydrate
SMILESCO[C-]=O.O.[Na+]
InChIInChI=1S/C2H3O2.Na.H2O/c1-4-2-3;;/h1H3;;1H2/q-1;+1;
InChIKeyIYWOYNPEILJRRC-UHFFFAOYSA-N
MW100.05 g/mol
LogP-4.12
Rot. Bonds1

About sodium;methoxymethanone;hydrate

sodium;methoxymethanone;hydrate (PubChem CID 174856420) has the molecular formula C2H5NaO3 and a molecular weight of 100.05 g/mol. Its IUPAC name is sodium;methoxymethanone;hydrate.

Molecular Properties

Compound Namesodium;methoxymethanone;hydrate
PubChem CID174856420
Molecular FormulaC2H5NaO3
Molecular Weight100.05 g/mol
Exact Mass100.01
IUPAC Namesodium;methoxymethanone;hydrate
SMILESCO[C-]=O.O.[Na+]
InChIInChI=1S/C2H3O2.Na.H2O/c1-4-2-3;;/h1H3;;1H2/q-1;+1;
InChIKeyIYWOYNPEILJRRC-UHFFFAOYSA-N
XLogP-4.12
TPSA57.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.05
LogP ≤ 5-4.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;methoxymethanone;hydrate?
The IUPAC name of sodium;methoxymethanone;hydrate (CID 174856420) is sodium;methoxymethanone;hydrate.
What is the SMILES notation for sodium;methoxymethanone;hydrate?
The canonical SMILES for sodium;methoxymethanone;hydrate is CO[C-]=O.O.[Na+].
What is the InChIKey of sodium;methoxymethanone;hydrate?
The InChIKey is IYWOYNPEILJRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O2.Na.H2O/c1-4-2-3;;/h1H3;;1H2/q-1;+1;.
What are the key properties of sodium;methoxymethanone;hydrate?
sodium;methoxymethanone;hydrate has a molecular weight of 100.05 g/mol, XLogP of -4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methoxymethanone;hydrate is sourced from PubChem (CID 174856420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).