hydron;oxaldehyde

C2H3O2+ — CID 175541636

IUPAChydron;oxaldehyde
SMILESO=CC=O.[H+]
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-O
MW59.04 g/mol
LogP-0.50
Rot. Bonds1

About hydron;oxaldehyde

hydron;oxaldehyde (PubChem CID 175541636) has the molecular formula C2H3O2+ and a molecular weight of 59.04 g/mol. Its IUPAC name is hydron;oxaldehyde.

Molecular Properties

Compound Namehydron;oxaldehyde
PubChem CID175541636
Molecular FormulaC2H3O2+
Molecular Weight59.04 g/mol
Exact Mass59.01
IUPAC Namehydron;oxaldehyde
SMILESO=CC=O.[H+]
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-O
XLogP-0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.04
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;oxaldehyde?
The IUPAC name of hydron;oxaldehyde (CID 175541636) is hydron;oxaldehyde.
What is the SMILES notation for hydron;oxaldehyde?
The canonical SMILES for hydron;oxaldehyde is O=CC=O.[H+].
What is the InChIKey of hydron;oxaldehyde?
The InChIKey is LEQAOMBKQFMDFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+1.
What are the key properties of hydron;oxaldehyde?
hydron;oxaldehyde has a molecular weight of 59.04 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;oxaldehyde is sourced from PubChem (CID 175541636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).