sodium;acetic acid;hydride;oxirane

C4H9NaO3 — CID 173167561

IUPACsodium;acetic acid;hydride;oxirane
SMILESC1CO1.CC(=O)O.[H-].[Na+]
InChIInChI=1S/C2H4O2.C2H4O.Na.H/c1-2(3)4;1-2-3-1;;/h1H3,(H,3,4);1-2H2;;/q;;+1;-1
InChIKeyPUQZRZUDOFXPPG-UHFFFAOYSA-N
MW128.10 g/mol
LogP-2.78
Rot. Bonds

About sodium;acetic acid;hydride;oxirane

sodium;acetic acid;hydride;oxirane (PubChem CID 173167561) has the molecular formula C4H9NaO3 and a molecular weight of 128.10 g/mol. Its IUPAC name is sodium;acetic acid;hydride;oxirane.

Molecular Properties

Compound Namesodium;acetic acid;hydride;oxirane
PubChem CID173167561
Molecular FormulaC4H9NaO3
Molecular Weight128.10 g/mol
Exact Mass128.04
IUPAC Namesodium;acetic acid;hydride;oxirane
SMILESC1CO1.CC(=O)O.[H-].[Na+]
InChIInChI=1S/C2H4O2.C2H4O.Na.H/c1-2(3)4;1-2-3-1;;/h1H3,(H,3,4);1-2H2;;/q;;+1;-1
InChIKeyPUQZRZUDOFXPPG-UHFFFAOYSA-N
XLogP-2.78
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-2.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trisodium;acetic acid;hydride
CID 172996834
tricosasodium;acetic acid;hydride
CID 173423110
1,4-dioxane;propan-2-one
CID 22407776
sodium;acetic acid;hydride;iridium
CID 175527395
sodium;acetic acid;hydride;rubidium(1+)
CID 173203449
sodium;acetic acid;hydride;silane
CID 173357169
hexasodium;acetic acid;azane;hydride
CID 173374702
calcium;sodium;acetic acid;hydride
CID 173169093
magnesium;sodium;acetic acid;hydride;trihydrate
CID 173259653
sodium;acetic acid;cobalt;hydride;manganese
CID 175418029
sodium;acetic acid;alumane;hydride;hydrochloride
CID 173360120
sodium;acetic acid;carbonic acid;hydride;zinc
CID 174483290

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;hydride;oxirane?
The IUPAC name of sodium;acetic acid;hydride;oxirane (CID 173167561) is sodium;acetic acid;hydride;oxirane.
What is the SMILES notation for sodium;acetic acid;hydride;oxirane?
The canonical SMILES for sodium;acetic acid;hydride;oxirane is C1CO1.CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;acetic acid;hydride;oxirane?
The InChIKey is PUQZRZUDOFXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H4O.Na.H/c1-2(3)4;1-2-3-1;;/h1H3,(H,3,4);1-2H2;;/q;;+1;-1.
What are the key properties of sodium;acetic acid;hydride;oxirane?
sodium;acetic acid;hydride;oxirane has a molecular weight of 128.10 g/mol, XLogP of -2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;hydride;oxirane is sourced from PubChem (CID 173167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).