sodium;acetate;trihydrate

C2H9NaO5 — CID 23665404

IUPACsodium;acetate;trihydrate
SMILESCC(=O)[O-].O.O.O.[Na+]
InChIInChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
InChIKeyAYRVGWHSXIMRAB-UHFFFAOYSA-M
MW136.08 g/mol
LogP-6.71
Rot. Bonds

About sodium;acetate;trihydrate

sodium;acetate;trihydrate (PubChem CID 23665404) has the molecular formula C2H9NaO5 and a molecular weight of 136.08 g/mol. Its IUPAC name is sodium;acetate;trihydrate.

Molecular Properties

Compound Namesodium;acetate;trihydrate
PubChem CID23665404
Molecular FormulaC2H9NaO5
Molecular Weight136.08 g/mol
Exact Mass136.03
IUPAC Namesodium;acetate;trihydrate
SMILESCC(=O)[O-].O.O.O.[Na+]
InChIInChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
InChIKeyAYRVGWHSXIMRAB-UHFFFAOYSA-M
XLogP-6.71
TPSA134.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-6.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium;acetate;trihydrate with MolForge

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

Launch Full Analysis

Related Compounds

tetrasodium;tetraacetate;hydrate
CID 141360802
disodium;acetate;chloride;trihydrate
CID 160847584
sodium;azane;acetate;hydrate
CID 173286300
nonasodium;nonaacetate
CID 173443222
disodium;acetic acid;diacetate;dihydrate
CID 157440241
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
dimagnesium;tetraacetate;hydrate
CID 139682585
cerium;diacetate;hydrate
CID 158213230
praseodymium(3+);triacetate;trihydrate
CID 172733090
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738

Frequently Asked Questions

What is the IUPAC name of sodium;acetate;trihydrate?
The IUPAC name of sodium;acetate;trihydrate (CID 23665404) is sodium;acetate;trihydrate.
What is the SMILES notation for sodium;acetate;trihydrate?
The canonical SMILES for sodium;acetate;trihydrate is CC(=O)[O-].O.O.O.[Na+].
What is the InChIKey of sodium;acetate;trihydrate?
The InChIKey is AYRVGWHSXIMRAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1.
What are the key properties of sodium;acetate;trihydrate?
sodium;acetate;trihydrate has a molecular weight of 136.08 g/mol, XLogP of -6.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetate;trihydrate is sourced from PubChem (CID 23665404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).