sodium;oxalonitrile;formate

C3HN2NaO2 — CID 174962548

IUPACsodium;oxalonitrile;formate
SMILESN#CC#N.O=C[O-].[Na+]
InChIInChI=1S/C2N2.CH2O2.Na/c3-1-2-4;2-1-3;/h;1H,(H,2,3);/q;;+1/p-1
InChIKeyGSEUEWYDYBGHNX-UHFFFAOYSA-M
MW120.04 g/mol
LogP-4.60
Rot. Bonds

About sodium;oxalonitrile;formate

sodium;oxalonitrile;formate (PubChem CID 174962548) has the molecular formula C3HN2NaO2 and a molecular weight of 120.04 g/mol. Its IUPAC name is sodium;oxalonitrile;formate.

Molecular Properties

Compound Namesodium;oxalonitrile;formate
PubChem CID174962548
Molecular FormulaC3HN2NaO2
Molecular Weight120.04 g/mol
Exact Mass119.99
IUPAC Namesodium;oxalonitrile;formate
SMILESN#CC#N.O=C[O-].[Na+]
InChIInChI=1S/C2N2.CH2O2.Na/c3-1-2-4;2-1-3;/h;1H,(H,2,3);/q;;+1/p-1
InChIKeyGSEUEWYDYBGHNX-UHFFFAOYSA-M
XLogP-4.60
TPSA87.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.04
LogP ≤ 5-4.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 161399171
tetrasodium;borate;formate
CID 173437028

Frequently Asked Questions

What is the IUPAC name of sodium;oxalonitrile;formate?
The IUPAC name of sodium;oxalonitrile;formate (CID 174962548) is sodium;oxalonitrile;formate.
What is the SMILES notation for sodium;oxalonitrile;formate?
The canonical SMILES for sodium;oxalonitrile;formate is N#CC#N.O=C[O-].[Na+].
What is the InChIKey of sodium;oxalonitrile;formate?
The InChIKey is GSEUEWYDYBGHNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C2N2.CH2O2.Na/c3-1-2-4;2-1-3;/h;1H,(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;oxalonitrile;formate?
sodium;oxalonitrile;formate has a molecular weight of 120.04 g/mol, XLogP of -4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxalonitrile;formate is sourced from PubChem (CID 174962548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).