2-hydroxypropanal

C3H6O2 — CID 855

IUPAC2-hydroxypropanal
SMILESCC(O)C=O
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyBSABBBMNWQWLLU-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.43
Rot. Bonds1

About 2-hydroxypropanal

2-hydroxypropanal (PubChem CID 855) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is 2-hydroxypropanal.

Molecular Properties

Compound Name2-hydroxypropanal
PubChem CID855
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Name2-hydroxypropanal
SMILESCC(O)C=O
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyBSABBBMNWQWLLU-UHFFFAOYSA-N
XLogP-0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.43
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-hydroxypropanal?
The IUPAC name of 2-hydroxypropanal (CID 855) is 2-hydroxypropanal.
What is the SMILES notation for 2-hydroxypropanal?
The canonical SMILES for 2-hydroxypropanal is CC(O)C=O.
What is the InChIKey of 2-hydroxypropanal?
The InChIKey is BSABBBMNWQWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3.
What are the key properties of 2-hydroxypropanal?
2-hydroxypropanal has a molecular weight of 74.08 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanal is sourced from PubChem (CID 855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).