trisodium;acetate;carbonate

C3H3Na3O5 — CID 169079974

IUPACtrisodium;acetate;carbonate
SMILESCC(=O)[O-].O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.CH2O3.3Na/c1-2(3)4;2-1(3)4;;;/h1H3,(H,3,4);(H2,2,3,4);;;/q;;3*+1/p-3
InChIKeyNISZEBCNNYKSQN-UHFFFAOYSA-K
MW188.02 g/mol
LogP-12.68
Rot. Bonds

About trisodium;acetate;carbonate

trisodium;acetate;carbonate (PubChem CID 169079974) has the molecular formula C3H3Na3O5 and a molecular weight of 188.02 g/mol. Its IUPAC name is trisodium;acetate;carbonate.

Molecular Properties

Compound Nametrisodium;acetate;carbonate
PubChem CID169079974
Molecular FormulaC3H3Na3O5
Molecular Weight188.02 g/mol
Exact Mass187.97
IUPAC Nametrisodium;acetate;carbonate
SMILESCC(=O)[O-].O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.CH2O3.3Na/c1-2(3)4;2-1(3)4;;;/h1H3,(H,3,4);(H2,2,3,4);;;/q;;3*+1/p-3
InChIKeyNISZEBCNNYKSQN-UHFFFAOYSA-K
XLogP-12.68
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 5-12.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium;hydron;triacetate
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sodium;acetate;trihydrate
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sodium;acetate;trihydrofluoride
CID 172761892
potassium;sodium;diacetate
CID 21470705
bis(manganese(2+));acetate;carbonate
CID 158739591
sodium;alumane;acetate
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disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
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disodium;acetate;chloride;trihydrate
CID 160847584

Frequently Asked Questions

What is the IUPAC name of trisodium;acetate;carbonate?
The IUPAC name of trisodium;acetate;carbonate (CID 169079974) is trisodium;acetate;carbonate.
What is the SMILES notation for trisodium;acetate;carbonate?
The canonical SMILES for trisodium;acetate;carbonate is CC(=O)[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;acetate;carbonate?
The InChIKey is NISZEBCNNYKSQN-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H4O2.CH2O3.3Na/c1-2(3)4;2-1(3)4;;;/h1H3,(H,3,4);(H2,2,3,4);;;/q;;3*+1/p-3.
What are the key properties of trisodium;acetate;carbonate?
trisodium;acetate;carbonate has a molecular weight of 188.02 g/mol, XLogP of -12.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;acetate;carbonate is sourced from PubChem (CID 169079974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).