sodium 3-hydroxypropan-1-olate

C3H7NaO2 — CID 23678824

IUPACsodium 3-hydroxypropan-1-olate
SMILES[Na+].[O-]CCCO
InChIInChI=1S/C3H7O2.Na/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1
InChIKeyXERFBGWORQPLCN-UHFFFAOYSA-N
MW98.08 g/mol
LogP-4.27
Rot. Bonds2

About sodium 3-hydroxypropan-1-olate

sodium 3-hydroxypropan-1-olate (PubChem CID 23678824) has the molecular formula C3H7NaO2 and a molecular weight of 98.08 g/mol. Its IUPAC name is sodium 3-hydroxypropan-1-olate.

Molecular Properties

Compound Namesodium 3-hydroxypropan-1-olate
PubChem CID23678824
Molecular FormulaC3H7NaO2
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Namesodium 3-hydroxypropan-1-olate
SMILES[Na+].[O-]CCCO
InChIInChI=1S/C3H7O2.Na/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1
InChIKeyXERFBGWORQPLCN-UHFFFAOYSA-N
XLogP-4.27
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-4.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxypropan-1-olate?
The IUPAC name of sodium 3-hydroxypropan-1-olate (CID 23678824) is sodium 3-hydroxypropan-1-olate.
What is the SMILES notation for sodium 3-hydroxypropan-1-olate?
The canonical SMILES for sodium 3-hydroxypropan-1-olate is [Na+].[O-]CCCO.
What is the InChIKey of sodium 3-hydroxypropan-1-olate?
The InChIKey is XERFBGWORQPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Na/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1.
What are the key properties of sodium 3-hydroxypropan-1-olate?
sodium 3-hydroxypropan-1-olate has a molecular weight of 98.08 g/mol, XLogP of -4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxypropan-1-olate is sourced from PubChem (CID 23678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).