disodium;acetate;chloride;trihydrate

C2H9ClNa2O5 — CID 160847584

IUPACdisodium;acetate;chloride;trihydrate
SMILESCC(=O)[O-].O.O.O.[Cl-].[Na+].[Na+]
InChIInChI=1S/C2H4O2.ClH.2Na.3H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);1H;;;3*1H2/q;;2*+1;;;/p-2
InChIKeySIVPBRCDSGTJEV-UHFFFAOYSA-L
MW194.52 g/mol
LogP-12.71
Rot. Bonds

About disodium;acetate;chloride;trihydrate

disodium;acetate;chloride;trihydrate (PubChem CID 160847584) has the molecular formula C2H9ClNa2O5 and a molecular weight of 194.52 g/mol. Its IUPAC name is disodium;acetate;chloride;trihydrate.

Molecular Properties

Compound Namedisodium;acetate;chloride;trihydrate
PubChem CID160847584
Molecular FormulaC2H9ClNa2O5
Molecular Weight194.52 g/mol
Exact Mass193.99
IUPAC Namedisodium;acetate;chloride;trihydrate
SMILESCC(=O)[O-].O.O.O.[Cl-].[Na+].[Na+]
InChIInChI=1S/C2H4O2.ClH.2Na.3H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);1H;;;3*1H2/q;;2*+1;;;/p-2
InChIKeySIVPBRCDSGTJEV-UHFFFAOYSA-L
XLogP-12.71
TPSA134.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.52
LogP ≤ 5-12.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;acetate;trihydrate
CID 23665404
tetrasodium;tetraacetate;hydrate
CID 141360802
aluminum;sodium;acetate;trichloride
CID 173360119
sodium;azane;acetate;hydrate
CID 173286300
nonasodium;nonaacetate
CID 173443222
disodium;acetic acid;diacetate;dihydrate
CID 157440241
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
cerium(3+);acetate;hexahydrate
CID 23158452
lanthanum;acetate;chloride
CID 88775203
vanadium;triacetate;hydrate
CID 102418603
sodium;hydron;triacetate
CID 173121634
yttrium(3+);triacetate;hydrate
CID 57376990

Frequently Asked Questions

What is the IUPAC name of disodium;acetate;chloride;trihydrate?
The IUPAC name of disodium;acetate;chloride;trihydrate (CID 160847584) is disodium;acetate;chloride;trihydrate.
What is the SMILES notation for disodium;acetate;chloride;trihydrate?
The canonical SMILES for disodium;acetate;chloride;trihydrate is CC(=O)[O-].O.O.O.[Cl-].[Na+].[Na+].
What is the InChIKey of disodium;acetate;chloride;trihydrate?
The InChIKey is SIVPBRCDSGTJEV-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.ClH.2Na.3H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);1H;;;3*1H2/q;;2*+1;;;/p-2.
What are the key properties of disodium;acetate;chloride;trihydrate?
disodium;acetate;chloride;trihydrate has a molecular weight of 194.52 g/mol, XLogP of -12.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetate;chloride;trihydrate is sourced from PubChem (CID 160847584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).