sodium;acetic acid;carbanide

C3H7NaO2 — CID 158665006

IUPACsodium;acetic acid;carbanide
SMILESCC(=O)O.[CH3-].[Na+]
InChIInChI=1S/C2H4O2.CH3.Na/c1-2(3)4;;/h1H3,(H,3,4);1H3;/q;-1;+1
InChIKeyWMGPDWKWRUNCLL-UHFFFAOYSA-N
MW98.08 g/mol
LogP-2.45
Rot. Bonds

About sodium;acetic acid;carbanide

sodium;acetic acid;carbanide (PubChem CID 158665006) has the molecular formula C3H7NaO2 and a molecular weight of 98.08 g/mol. Its IUPAC name is sodium;acetic acid;carbanide.

Molecular Properties

Compound Namesodium;acetic acid;carbanide
PubChem CID158665006
Molecular FormulaC3H7NaO2
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Namesodium;acetic acid;carbanide
SMILESCC(=O)O.[CH3-].[Na+]
InChIInChI=1S/C2H4O2.CH3.Na/c1-2(3)4;;/h1H3,(H,3,4);1H3;/q;-1;+1
InChIKeyWMGPDWKWRUNCLL-UHFFFAOYSA-N
XLogP-2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-2.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trisodium;acetic acid;hydride
CID 172996834
sodium;acetic acid;boranuide
CID 131724855
tricosasodium;acetic acid;hydride
CID 173423110
sodium;acetic acid;azanide
CID 172855434
acetic acid
CID 158444727
calcium;sodium;acetic acid;hydride
CID 173169093
sodium;acetic acid;hydride;rubidium(1+)
CID 173203449
sodium;acetic acid;hydride;iridium
CID 175527395
sodium;acetic acid;hydride;silane
CID 173357169
hexasodium;acetic acid;azane;hydride
CID 173374702
acetic acid;stibane
CID 174267479
acetic acid;ethane
CID 173070051

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;carbanide?
The IUPAC name of sodium;acetic acid;carbanide (CID 158665006) is sodium;acetic acid;carbanide.
What is the SMILES notation for sodium;acetic acid;carbanide?
The canonical SMILES for sodium;acetic acid;carbanide is CC(=O)O.[CH3-].[Na+].
What is the InChIKey of sodium;acetic acid;carbanide?
The InChIKey is WMGPDWKWRUNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH3.Na/c1-2(3)4;;/h1H3,(H,3,4);1H3;/q;-1;+1.
What are the key properties of sodium;acetic acid;carbanide?
sodium;acetic acid;carbanide has a molecular weight of 98.08 g/mol, XLogP of -2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;carbanide is sourced from PubChem (CID 158665006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).