trisodium;propanoate

C9H15Na3O6 — CID 86625665

IUPACtrisodium;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3C3H6O2.3Na/c3*1-2-3(4)5;;;/h3*2H2,1H3,(H,4,5);;;/q;;;3*+1/p-3
InChIKeyKDZUTMBXZKWVKT-UHFFFAOYSA-K
MW288.18 g/mol
LogP-11.55
Rot. Bonds3

About trisodium;propanoate

trisodium;propanoate (PubChem CID 86625665) has the molecular formula C9H15Na3O6 and a molecular weight of 288.18 g/mol. Its IUPAC name is trisodium;propanoate.

Molecular Properties

Compound Nametrisodium;propanoate
PubChem CID86625665
Molecular FormulaC9H15Na3O6
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Nametrisodium;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3C3H6O2.3Na/c3*1-2-3(4)5;;;/h3*2H2,1H3,(H,4,5);;;/q;;;3*+1/p-3
InChIKeyKDZUTMBXZKWVKT-UHFFFAOYSA-K
XLogP-11.55
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 5-11.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trisodium;propanoate?
The IUPAC name of trisodium;propanoate (CID 86625665) is trisodium;propanoate.
What is the SMILES notation for trisodium;propanoate?
The canonical SMILES for trisodium;propanoate is CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;propanoate?
The InChIKey is KDZUTMBXZKWVKT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O2.3Na/c3*1-2-3(4)5;;;/h3*2H2,1H3,(H,4,5);;;/q;;;3*+1/p-3.
What are the key properties of trisodium;propanoate?
trisodium;propanoate has a molecular weight of 288.18 g/mol, XLogP of -11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;propanoate is sourced from PubChem (CID 86625665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).