2-hydroxyacetaldehyde

C2H4O2 — CID 121494061

IUPAC2-hydroxyacetaldehyde
SMILESO=C[13CH2]O
InChIInChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2/i2+1
InChIKeyWGCNASOHLSPBMP-VQEHIDDOSA-N
MW61.04 g/mol
LogP-0.82
Rot. Bonds1

About 2-hydroxyacetaldehyde

2-hydroxyacetaldehyde (PubChem CID 121494061) has the molecular formula C2H4O2 and a molecular weight of 61.04 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-hydroxyacetaldehyde
PubChem CID121494061
Molecular FormulaC2H4O2
Molecular Weight61.04 g/mol
Exact Mass61.02
IUPAC Name2-hydroxyacetaldehyde
SMILESO=C[13CH2]O
InChIInChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2/i2+1
InChIKeyWGCNASOHLSPBMP-VQEHIDDOSA-N
XLogP-0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.04
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde?
The IUPAC name of 2-hydroxyacetaldehyde (CID 121494061) is 2-hydroxyacetaldehyde.
What is the SMILES notation for 2-hydroxyacetaldehyde?
The canonical SMILES for 2-hydroxyacetaldehyde is O=C[13CH2]O.
What is the InChIKey of 2-hydroxyacetaldehyde?
The InChIKey is WGCNASOHLSPBMP-VQEHIDDOSA-N. The full InChI is InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2/i2+1.
What are the key properties of 2-hydroxyacetaldehyde?
2-hydroxyacetaldehyde has a molecular weight of 61.04 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde is sourced from PubChem (CID 121494061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).