sodium;azane;acetate;hydrate

C2H8NNaO3 — CID 173286300

IUPACsodium;azane;acetate;hydrate
SMILESCC(=O)[O-].N.O.[Na+]
InChIInChI=1S/C2H4O2.H3N.Na.H2O/c1-2(3)4;;;/h1H3,(H,3,4);1H3;;1H2/q;;+1;/p-1
InChIKeyNVBQPPKEKSBKFU-UHFFFAOYSA-M
MW117.08 g/mol
LogP-4.90
Rot. Bonds

About sodium;azane;acetate;hydrate

sodium;azane;acetate;hydrate (PubChem CID 173286300) has the molecular formula C2H8NNaO3 and a molecular weight of 117.08 g/mol. Its IUPAC name is sodium;azane;acetate;hydrate.

Molecular Properties

Compound Namesodium;azane;acetate;hydrate
PubChem CID173286300
Molecular FormulaC2H8NNaO3
Molecular Weight117.08 g/mol
Exact Mass117.04
IUPAC Namesodium;azane;acetate;hydrate
SMILESCC(=O)[O-].N.O.[Na+]
InChIInChI=1S/C2H4O2.H3N.Na.H2O/c1-2(3)4;;;/h1H3,(H,3,4);1H3;;1H2/q;;+1;/p-1
InChIKeyNVBQPPKEKSBKFU-UHFFFAOYSA-M
XLogP-4.90
TPSA106.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 5-4.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;acetate;trihydrate
CID 23665404
tetrasodium;tetraacetate;hydrate
CID 141360802
disodium;acetate;chloride;trihydrate
CID 160847584
nonasodium;nonaacetate
CID 173443222
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
disodium;acetic acid;diacetate;dihydrate
CID 157440241
silver;azane;acetate
CID 160849011
dimagnesium;tetraacetate;hydrate
CID 139682585
cerium;diacetate;hydrate
CID 158213230
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 sodium;azane;acetate;hydrate?
The IUPAC name of sodium;azane;acetate;hydrate (CID 173286300) is sodium;azane;acetate;hydrate.
What is the SMILES notation for sodium;azane;acetate;hydrate?
The canonical SMILES for sodium;azane;acetate;hydrate is CC(=O)[O-].N.O.[Na+].
What is the InChIKey of sodium;azane;acetate;hydrate?
The InChIKey is NVBQPPKEKSBKFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.H3N.Na.H2O/c1-2(3)4;;;/h1H3,(H,3,4);1H3;;1H2/q;;+1;/p-1.
What are the key properties of sodium;azane;acetate;hydrate?
sodium;azane;acetate;hydrate has a molecular weight of 117.08 g/mol, XLogP of -4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;acetate;hydrate is sourced from PubChem (CID 173286300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).