hydron;2-hydroxyethylideneoxidanium;hydrate

C2H9O3+3 — CID 155907151

IUPAChydron;2-hydroxyethylideneoxidanium;hydrate
SMILESO.[H+].[H+].[H]/[O+]=C/CO
InChIInChI=1S/C2H4O2.H2O/c3-1-2-4;/h1,4H,2H2;1H2/p+3
InChIKeyBQKKKHSZOWTAFZ-UHFFFAOYSA-Q
MW81.09 g/mol
LogP-1.45
Rot. Bonds1

About hydron;2-hydroxyethylideneoxidanium;hydrate

hydron;2-hydroxyethylideneoxidanium;hydrate (PubChem CID 155907151) has the molecular formula C2H9O3+3 and a molecular weight of 81.09 g/mol. Its IUPAC name is hydron;2-hydroxyethylideneoxidanium;hydrate.

Molecular Properties

Compound Namehydron;2-hydroxyethylideneoxidanium;hydrate
PubChem CID155907151
Molecular FormulaC2H9O3+3
Molecular Weight81.09 g/mol
Exact Mass81.05
IUPAC Namehydron;2-hydroxyethylideneoxidanium;hydrate
SMILESO.[H+].[H+].[H]/[O+]=C/CO
InChIInChI=1S/C2H4O2.H2O/c3-1-2-4;/h1,4H,2H2;1H2/p+3
InChIKeyBQKKKHSZOWTAFZ-UHFFFAOYSA-Q
XLogP-1.45
TPSA73.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.09
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxyethylideneoxidanium;hydrate?
The IUPAC name of hydron;2-hydroxyethylideneoxidanium;hydrate (CID 155907151) is hydron;2-hydroxyethylideneoxidanium;hydrate.
What is the SMILES notation for hydron;2-hydroxyethylideneoxidanium;hydrate?
The canonical SMILES for hydron;2-hydroxyethylideneoxidanium;hydrate is O.[H+].[H+].[H]/[O+]=C/CO.
What is the InChIKey of hydron;2-hydroxyethylideneoxidanium;hydrate?
The InChIKey is BQKKKHSZOWTAFZ-UHFFFAOYSA-Q. The full InChI is InChI=1S/C2H4O2.H2O/c3-1-2-4;/h1,4H,2H2;1H2/p+3.
What are the key properties of hydron;2-hydroxyethylideneoxidanium;hydrate?
hydron;2-hydroxyethylideneoxidanium;hydrate has a molecular weight of 81.09 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxyethylideneoxidanium;hydrate is sourced from PubChem (CID 155907151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).