3-hydroxypropanal;hydrochloride

C3H7ClO2 — CID 87570947

IUPAC3-hydroxypropanal;hydrochloride
SMILESCl.O=CCCO
InChIInChI=1S/C3H6O2.ClH/c4-2-1-3-5;/h2,5H,1,3H2;1H
InChIKeyBXFUXBNPKVVIIW-UHFFFAOYSA-N
MW110.54 g/mol
LogP-0.01
Rot. Bonds2

About 3-hydroxypropanal;hydrochloride

3-hydroxypropanal;hydrochloride (PubChem CID 87570947) has the molecular formula C3H7ClO2 and a molecular weight of 110.54 g/mol. Its IUPAC name is 3-hydroxypropanal;hydrochloride.

Molecular Properties

Compound Name3-hydroxypropanal;hydrochloride
PubChem CID87570947
Molecular FormulaC3H7ClO2
Molecular Weight110.54 g/mol
Exact Mass110.01
IUPAC Name3-hydroxypropanal;hydrochloride
SMILESCl.O=CCCO
InChIInChI=1S/C3H6O2.ClH/c4-2-1-3-5;/h2,5H,1,3H2;1H
InChIKeyBXFUXBNPKVVIIW-UHFFFAOYSA-N
XLogP-0.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.54
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxypropanal;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanal;hydrochloride?
The IUPAC name of 3-hydroxypropanal;hydrochloride (CID 87570947) is 3-hydroxypropanal;hydrochloride.
What is the SMILES notation for 3-hydroxypropanal;hydrochloride?
The canonical SMILES for 3-hydroxypropanal;hydrochloride is Cl.O=CCCO.
What is the InChIKey of 3-hydroxypropanal;hydrochloride?
The InChIKey is BXFUXBNPKVVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.ClH/c4-2-1-3-5;/h2,5H,1,3H2;1H.
What are the key properties of 3-hydroxypropanal;hydrochloride?
3-hydroxypropanal;hydrochloride has a molecular weight of 110.54 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanal;hydrochloride is sourced from PubChem (CID 87570947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).