sodium methyl carbonate

C2H3NaO3 — CID 23674761

IUPACsodium methyl carbonate
SMILESCOC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O3.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyOWSBHFWSKFIEGF-UHFFFAOYSA-M
MW98.03 g/mol
LogP-4.02
Rot. Bonds

About sodium methyl carbonate

sodium methyl carbonate (PubChem CID 23674761) has the molecular formula C2H3NaO3 and a molecular weight of 98.03 g/mol. Its IUPAC name is sodium methyl carbonate.

Molecular Properties

Compound Namesodium methyl carbonate
PubChem CID23674761
Molecular FormulaC2H3NaO3
Molecular Weight98.03 g/mol
Exact Mass98.00
IUPAC Namesodium methyl carbonate
SMILESCOC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O3.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyOWSBHFWSKFIEGF-UHFFFAOYSA-M
XLogP-4.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.03
LogP ≤ 5-4.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium methyl carbonate?
The IUPAC name of sodium methyl carbonate (CID 23674761) is sodium methyl carbonate.
What is the SMILES notation for sodium methyl carbonate?
The canonical SMILES for sodium methyl carbonate is COC(=O)[O-].[Na+].
What is the InChIKey of sodium methyl carbonate?
The InChIKey is OWSBHFWSKFIEGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3.Na/c1-5-2(3)4;/h1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium methyl carbonate?
sodium methyl carbonate has a molecular weight of 98.03 g/mol, XLogP of -4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methyl carbonate is sourced from PubChem (CID 23674761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).