sodium methoxy carbonate

C2H3NaO4 — CID 172855856

IUPACsodium methoxy carbonate
SMILESCOOC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O4.Na/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyYRTBYLQKGMAONQ-UHFFFAOYSA-M
MW114.03 g/mol
LogP-4.09
Rot. Bonds1

About sodium methoxy carbonate

sodium methoxy carbonate (PubChem CID 172855856) has the molecular formula C2H3NaO4 and a molecular weight of 114.03 g/mol. Its IUPAC name is sodium methoxy carbonate.

Molecular Properties

Compound Namesodium methoxy carbonate
PubChem CID172855856
Molecular FormulaC2H3NaO4
Molecular Weight114.03 g/mol
Exact Mass113.99
IUPAC Namesodium methoxy carbonate
SMILESCOOC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O4.Na/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyYRTBYLQKGMAONQ-UHFFFAOYSA-M
XLogP-4.09
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.03
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium methoxy carbonate?
The IUPAC name of sodium methoxy carbonate (CID 172855856) is sodium methoxy carbonate.
What is the SMILES notation for sodium methoxy carbonate?
The canonical SMILES for sodium methoxy carbonate is COOC(=O)[O-].[Na+].
What is the InChIKey of sodium methoxy carbonate?
The InChIKey is YRTBYLQKGMAONQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O4.Na/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium methoxy carbonate?
sodium methoxy carbonate has a molecular weight of 114.03 g/mol, XLogP of -4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxy carbonate is sourced from PubChem (CID 172855856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).